2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

C10H17N3O2S — CID 79249595

IUPAC2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-5(2)7(4-14)13-9(15)8-6(3)12-10(11)16-8/h5,7,14H,4H2,1-3H3,(H2,11,12)(H,13,15)
InChIKeyNKWOUEJTBFQJDS-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.78
Rot. Bonds4

About 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 79249595) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID79249595
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)NC(CO)C(C)C
InChIInChI=1S/C10H17N3O2S/c1-5(2)7(4-14)13-9(15)8-6(3)12-10(11)16-8/h5,7,14H,4H2,1-3H3,(H2,11,12)(H,13,15)
InChIKeyNKWOUEJTBFQJDS-UHFFFAOYSA-N
XLogP0.78
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 110205611
methyl (2S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylbutanoate
CID 62792031
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-(2,3-dihydroxypropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 66168708
(2S,3S)-2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55116101
5-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 82845398
N-(1-hydroxy-3-methylbutan-2-yl)-4-methylthiadiazole-5-carboxamide
CID 79253100
2-amino-N-(dicyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792433
4-amino-2-(tert-butylamino)-N-(1-hydroxy-3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671203
2-amino-N-(3-hydroxybutyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64910587
2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81078004

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 79249595) is 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)NC(CO)C(C)C.
What is the InChIKey of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NKWOUEJTBFQJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5(2)7(4-14)13-9(15)8-6(3)12-10(11)16-8/h5,7,14H,4H2,1-3H3,(H2,11,12)(H,13,15).
What are the key properties of 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79249595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).