2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

C12H17N3OS — CID 62792433

IUPAC2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H17N3OS/c1-6-10(17-12(13)14-6)11(16)15-9(7-2-3-7)8-4-5-8/h7-9H,2-5H2,1H3,(H2,13,14)(H,15,16)
InChIKeyFGOFSGBSMSKOPK-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62792433) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62792433
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H17N3OS/c1-6-10(17-12(13)14-6)11(16)15-9(7-2-3-7)8-4-5-8/h7-9H,2-5H2,1H3,(H2,13,14)(H,15,16)
InChIKeyFGOFSGBSMSKOPK-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(R)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 124852775
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55115011
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79249595
methyl (2S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoate
CID 62792031
2-amino-4-methyl-N-(thian-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 113487603
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103807307
2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 62792561
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82845398
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81078004
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
2-amino-4-methyl-N-(oxolan-3-yl)-1,3-thiazole-5-carboxamide
CID 80713116

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 62792433) is 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FGOFSGBSMSKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-6-10(17-12(13)14-6)11(16)15-9(7-2-3-7)8-4-5-8/h7-9H,2-5H2,1H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62792433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).