2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C13H17N5OS — CID 124852775

IUPAC2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N[C@@H](c1nccn1C)C1CC1
InChIInChI=1S/C13H17N5OS/c1-7-10(20-13(14)16-7)12(19)17-9(8-3-4-8)11-15-5-6-18(11)2/h5-6,8-9H,3-4H2,1-2H3,(H2,14,16)(H,17,19)/t9-/m1/s1
InChIKeyVIRMDCFUPCQVIM-SECBINFHSA-N
MW291.38 g/mol
LogP1.65
Rot. Bonds4

About 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 124852775) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID124852775
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)N[C@@H](c1nccn1C)C1CC1
InChIInChI=1S/C13H17N5OS/c1-7-10(20-13(14)16-7)12(19)17-9(8-3-4-8)11-15-5-6-18(11)2/h5-6,8-9H,3-4H2,1-2H3,(H2,14,16)(H,17,19)/t9-/m1/s1
InChIKeyVIRMDCFUPCQVIM-SECBINFHSA-N
XLogP1.65
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 122569754
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 125445823
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91794163
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 122572248
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634517
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 125436853
4-(5-acetylthiophen-2-yl)-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]benzamide
CID 126448585
N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]azocane-1-carboxamide
CID 125437876
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 125444734
N-[(S)-(1-methylimidazol-2-yl)-(oxan-4-yl)methyl]pyridine-4-carboxamide
CID 129487211
N-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172674256

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 124852775) is 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)N[C@@H](c1nccn1C)C1CC1.
What is the InChIKey of 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is VIRMDCFUPCQVIM-SECBINFHSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-7-10(20-13(14)16-7)12(19)17-9(8-3-4-8)11-15-5-6-18(11)2/h5-6,8-9H,3-4H2,1-2H3,(H2,14,16)(H,17,19)/t9-/m1/s1.
What are the key properties of 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124852775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).