N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide

C9H14N2O3S — CID 66168769

IUPACN-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(C)(O)CO
InChIInChI=1S/C9H14N2O3S/c1-6-7(15-5-11-6)8(13)10-3-9(2,14)4-12/h5,12,14H,3-4H2,1-2H3,(H,10,13)
InChIKeyCVSXLBVEROSTFW-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.08
Rot. Bonds4

About N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 66168769) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID66168769
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(C)(O)CO
InChIInChI=1S/C9H14N2O3S/c1-6-7(15-5-11-6)8(13)10-3-9(2,14)4-12/h5,12,14H,3-4H2,1-2H3,(H,10,13)
InChIKeyCVSXLBVEROSTFW-UHFFFAOYSA-N
XLogP-0.08
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
N-(2-amino-2-ethylbutyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119639748
N-(1-hydroxy-2-methylbutan-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 64555805
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107260883
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 80711605
3-methyl-2-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]butanoic acid
CID 65215342
4-methyl-N-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carboxamide
CID 82723283

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 66168769) is N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is CVSXLBVEROSTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-6-7(15-5-11-6)8(13)10-3-9(2,14)4-12/h5,12,14H,3-4H2,1-2H3,(H,10,13).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 230.29 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66168769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).