5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide

C20H25F3N4OS2 — CID 118433309

IUPAC5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCN(CC(F)(F)F)CC3)c(C)s2)s1
InChIInChI=1S/C20H25F3N4OS2/c1-11-14(8-17(29-11)19(28)26-18-9-24-12(2)30-18)15-7-16(15)25-13-3-5-27(6-4-13)10-20(21,22)23/h8-9,13,15-16,25H,3-7,10H2,1-2H3,(H,26,28)
InChIKeyUDCBFPFTJFZHHN-UHFFFAOYSA-N
MW458.58 g/mol
LogP4.55
Rot. Bonds6

About 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide

5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide (PubChem CID 118433309) has the molecular formula C20H25F3N4OS2 and a molecular weight of 458.58 g/mol. Its IUPAC name is 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide
PubChem CID118433309
Molecular FormulaC20H25F3N4OS2
Molecular Weight458.58 g/mol
Exact Mass458.14
IUPAC Name5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C3CC3NC3CCN(CC(F)(F)F)CC3)c(C)s2)s1
InChIInChI=1S/C20H25F3N4OS2/c1-11-14(8-17(29-11)19(28)26-18-9-24-12(2)30-18)15-7-16(15)25-13-3-5-27(6-4-13)10-20(21,22)23/h8-9,13,15-16,25H,3-7,10H2,1-2H3,(H,26,28)
InChIKeyUDCBFPFTJFZHHN-UHFFFAOYSA-N
XLogP4.55
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(trans-2-((4,4-difluorocyclohexyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118303965
3-(trans-2-((1-acetylpiperidin-4-yl)amino)cyclopropyl)-N-(2-(4-fluorophenyl)-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118304404
3-(trans-2-(cyclobutyl-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 117886275
3-(trans-2-((cyclopropylmethyl)-amino)cyclopropyl)-N-(2-methyl-1,3-thiazol-5-yl)benzamide dihydrochloride
CID 118304489
N-(2-methyl-1,3-thiazol-5-yl)-5-((1R,2R)-2-(tetrahydro-2H-pyran-4-ylamino)-cyclopropyl)thio-phene-3-carboxamide
CID 118432716
N-(2-methyl-1,3-thiazol-5-yl)-5-((1R,2R)-2-((tetrahydro-2H-pyran-4-ylmethyl)-amino)cyclopropyl)-thiophene-3-carboxamide
CID 118433057
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709607
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]thiophene-3-carboxamide
CID 131709610
3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide
CID 118303969
3-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide;dihydrochloride
CID 118305201
3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-N-(2-methyl-1,3-thiazol-5-yl)benzamide;dihydrochloride
CID 118305202
N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide
CID 118432643

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide?
The IUPAC name of 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide (CID 118433309) is 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide is Cc1ncc(NC(=O)c2cc(C3CC3NC3CCN(CC(F)(F)F)CC3)c(C)s2)s1.
What is the InChIKey of 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide?
The InChIKey is UDCBFPFTJFZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4OS2/c1-11-14(8-17(29-11)19(28)26-18-9-24-12(2)30-18)15-7-16(15)25-13-3-5-27(6-4-13)10-20(21,22)23/h8-9,13,15-16,25H,3-7,10H2,1-2H3,(H,26,28).
What are the key properties of 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide?
5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methyl-1,3-thiazol-5-yl)-4-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 118433309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).