(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C13H19N3OS — CID 86293696

IUPAC(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1csc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1
InChIInChI=1S/C13H19N3OS/c1-7-6-18-12(15-7)13(2,3)16-11(17)10-8-4-14-5-9(8)10/h6,8-10,14H,4-5H2,1-3H3,(H,16,17)/t8-,9+,10?
InChIKeyCAUMPDOJRWDBNT-ULKQDVFKSA-N
MW265.38 g/mol
LogP1.27
Rot. Bonds3

About (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 86293696) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID86293696
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1csc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1
InChIInChI=1S/C13H19N3OS/c1-7-6-18-12(15-7)13(2,3)16-11(17)10-8-4-14-5-9(8)10/h6,8-10,14H,4-5H2,1-3H3,(H,16,17)/t8-,9+,10?
InChIKeyCAUMPDOJRWDBNT-ULKQDVFKSA-N
XLogP1.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 47070623
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53518138
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519126
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
CID 53519583
1-(2-amino-2-oxoethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-piperidinecarboxamide
CID 70787928
1-[2-[2-(4-Methyl-1,3-thiazol-2-yl)propan-2-ylamino]acetyl]piperidine-3-carboxamide
CID 71868987
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72873495
(3R,5S)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-5-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 72920790
N-[[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149362
N-[[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 53149370
N-[[2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropanamide
CID 53149426
N-({2-[1-(cyclopentylcarbonyl)piperidin-4-yl]-1,3-thiazol-4-yl}methyl)propanamide
CID 71830291

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 86293696) is (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cc1csc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.
What is the InChIKey of (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CAUMPDOJRWDBNT-ULKQDVFKSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-7-6-18-12(15-7)13(2,3)16-11(17)10-8-4-14-5-9(8)10/h6,8-10,14H,4-5H2,1-3H3,(H,16,17)/t8-,9+,10?.
What are the key properties of (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 86293696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).