1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide

C28H38F2N4O2S — CID 154668560

IUPAC1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide
SMILESCC1CC1(F)F.CCCCC(C)C.Cc1cccc(-c2csc(NC(=O)CNC(=O)c3cc[nH]c3)n2)c1
InChIInChI=1S/C17H16N4O2S.C7H16.C4H6F2/c1-11-3-2-4-12(7-11)14-10-24-17(20-14)21-15(22)9-19-16(23)13-5-6-18-8-13;1-4-5-6-7(2)3;1-3-2-4(3,5)6/h2-8,10,18H,9H2,1H3,(H,19,23)(H,20,21,22);7H,4-6H2,1-3H3;3H,2H2,1H3
InChIKeyGWXFAXLIVVFTPM-UHFFFAOYSA-N
MW532.70 g/mol
LogP7.31
Rot. Bonds8

About 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide

1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide (PubChem CID 154668560) has the molecular formula C28H38F2N4O2S and a molecular weight of 532.70 g/mol. Its IUPAC name is 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide
PubChem CID154668560
Molecular FormulaC28H38F2N4O2S
Molecular Weight532.70 g/mol
Exact Mass532.27
IUPAC Name1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide
SMILESCC1CC1(F)F.CCCCC(C)C.Cc1cccc(-c2csc(NC(=O)CNC(=O)c3cc[nH]c3)n2)c1
InChIInChI=1S/C17H16N4O2S.C7H16.C4H6F2/c1-11-3-2-4-12(7-11)14-10-24-17(20-14)21-15(22)9-19-16(23)13-5-6-18-8-13;1-4-5-6-7(2)3;1-3-2-4(3,5)6/h2-8,10,18H,9H2,1H3,(H,19,23)(H,20,21,22);7H,4-6H2,1-3H3;3H,2H2,1H3
InChIKeyGWXFAXLIVVFTPM-UHFFFAOYSA-N
XLogP7.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.70
LogP ≤ 57.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

1-tert-butyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;methoxymethane;2-methylhexane;propane
CID 154667601
N-[2-[[4-[3-(4-aminooxan-4-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide
CID 154668230
CID 154669632
CID 154669632
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
ethane;6-(methoxymethyl)-3-methylnonane;1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide
CID 154669231
1-methyl-N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrrole-3-carboxamide;5-methyl-2-propylheptanenitrile
CID 154669862
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
N-[2-[[4-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-5-methyl-1-(3-methylbutyl)pyrrole-3-carboxamide
CID 154666839
3,5-dimethyl-N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46667813
N-[2-[[4-[3-(difluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-fluoro-4-methyl-1,3-dihydroisochromene-6-carboxamide
CID 175371472
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
N-[2-[[4-[3-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668263

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide (CID 154668560) is 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide is CC1CC1(F)F.CCCCC(C)C.Cc1cccc(-c2csc(NC(=O)CNC(=O)c3cc[nH]c3)n2)c1.
What is the InChIKey of 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is GWXFAXLIVVFTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S.C7H16.C4H6F2/c1-11-3-2-4-12(7-11)14-10-24-17(20-14)21-15(22)9-19-16(23)13-5-6-18-8-13;1-4-5-6-7(2)3;1-3-2-4(3,5)6/h2-8,10,18H,9H2,1H3,(H,19,23)(H,20,21,22);7H,4-6H2,1-3H3;3H,2H2,1H3.
What are the key properties of 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide?
1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 532.70 g/mol, XLogP of 7.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methylcyclopropane;2-methylhexane;N-[2-[[4-(3-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154668560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).