N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide

C17H21N3O2S2 — CID 118432716

IUPACN-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1
InChIInChI=1S/C17H21N3O2S2/c1-10-18-8-16(24-10)20-17(21)11-6-15(23-9-11)13-7-14(13)19-12-2-4-22-5-3-12/h6,8-9,12-14,19H,2-5,7H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyGRILTBXBBYWFBM-ZIAGYGMSSA-N
MW363.51 g/mol
LogP3.39
Rot. Bonds5

About N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide

N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide (PubChem CID 118432716) has the molecular formula C17H21N3O2S2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
PubChem CID118432716
Molecular FormulaC17H21N3O2S2
Molecular Weight363.51 g/mol
Exact Mass363.11
IUPAC NameN-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide
SMILESCc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1
InChIInChI=1S/C17H21N3O2S2/c1-10-18-8-16(24-10)20-17(21)11-6-15(23-9-11)13-7-14(13)19-12-2-4-22-5-3-12/h6,8-9,12-14,19H,2-5,7H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyGRILTBXBBYWFBM-ZIAGYGMSSA-N
XLogP3.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304877
N-(2-methyl-1,3-thiazol-5-yl)-3-(trans-2-((tetrahydro-2H-pyran-4-ylmethyl)amino)cyclo-propyl)benzamide dihydrochloride
CID 118304709
N-(2-methyl-1,3-thiazol-5-yl)-3-(trans-2-(tetrahydro-2H-pyran-4-ylamino)cyclopropyl)-benzamide dihydrochloride
CID 118304873
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
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
N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
CID 118433237
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
2-methyl-N-(2-methyl-1,3-thiazol-5-yl)-5-[2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]cyclopropyl]thiophene-3-carboxamide
CID 118433317
N-(2-methyl-1,3-thiazol-5-yl)-3-[2-(oxan-4-ylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304708
N-(2-methyl-1,3-thiazol-5-yl)-3-[(1S,2R)-2-(oxan-4-ylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304712

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide?
The IUPAC name of N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide (CID 118432716) is N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide is Cc1ncc(NC(=O)c2csc([C@@H]3C[C@H]3NC3CCOCC3)c2)s1.
What is the InChIKey of N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide?
The InChIKey is GRILTBXBBYWFBM-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H21N3O2S2/c1-10-18-8-16(24-10)20-17(21)11-6-15(23-9-11)13-7-14(13)19-12-2-4-22-5-3-12/h6,8-9,12-14,19H,2-5,7H2,1H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide?
N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-thiazol-5-yl)-5-[(1R,2R)-2-(oxan-4-ylamino)cyclopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 118432716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).