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

C14H17N5OS — CID 167939990

IUPAC(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1[C@H]2CN(C(=O)Nc3nc(-c4ccnn4C)cs3)C[C@@H]12
InChIInChI=1S/C14H17N5OS/c1-8-9-5-19(6-10(8)9)14(20)17-13-16-11(7-21-13)12-3-4-15-18(12)2/h3-4,7-10H,5-6H2,1-2H3,(H,16,17,20)/t8?,9-,10+
InChIKeySYZFXXOQBDAQKE-PBINXNQUSA-N
MW303.39 g/mol
LogP2.27
Rot. Bonds2

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

(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167939990) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167939990
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1[C@H]2CN(C(=O)Nc3nc(-c4ccnn4C)cs3)C[C@@H]12
InChIInChI=1S/C14H17N5OS/c1-8-9-5-19(6-10(8)9)14(20)17-13-16-11(7-21-13)12-3-4-15-18(12)2/h3-4,7-10H,5-6H2,1-2H3,(H,16,17,20)/t8?,9-,10+
InChIKeySYZFXXOQBDAQKE-PBINXNQUSA-N
XLogP2.27
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 167896651
1-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]urea
CID 167901737
1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470836
2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 167813319
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 97090370
3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 138997096
2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
CID 137000832
1-[(3S)-3-[2-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124944395
4-[(3-methoxyphenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19500970
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519
N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide
CID 167916695
N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 136542163

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 167939990) is (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is CC1[C@H]2CN(C(=O)Nc3nc(-c4ccnn4C)cs3)C[C@@H]12.
What is the InChIKey of (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SYZFXXOQBDAQKE-PBINXNQUSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-8-9-5-19(6-10(8)9)14(20)17-13-16-11(7-21-13)12-3-4-15-18(12)2/h3-4,7-10H,5-6H2,1-2H3,(H,16,17,20)/t8?,9-,10+.
What are the key properties of (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167939990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).