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

C9H14N2O2S — CID 65198787

IUPACN-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(C)(C)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-6-11-7(4-14-6)8(12)10-5-9(2,3)13/h4,13H,5H2,1-3H3,(H,10,12)
InChIKeyZOFOTOZRJCDGTI-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.95
Rot. Bonds3

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

N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 65198787) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID65198787
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(C)(C)O)cs1
InChIInChI=1S/C9H14N2O2S/c1-6-11-7(4-14-6)8(12)10-5-9(2,3)13/h4,13H,5H2,1-3H3,(H,10,12)
InChIKeyZOFOTOZRJCDGTI-UHFFFAOYSA-N
XLogP0.95
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
2-(((Tert-butoxycarbonyl)amino)methyl)thiazole-4-carboxylic acid
CID 10199046
Cobicistat metabolite M9.1
CID 69479782
2-ethynyl-N-prop-2-ynyl-1,3-thiazole-4-carboxamide
CID 168295957
FK 336
CID 129402
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)ethyl]carbamate
CID 485037
tert-butyl N-[1-(4-carbamoylthiazol-2-yl)-2-methyl-propyl]carbamate
CID 485042
tert-butyl N-[2-methyl-1-[4-(methylcarbamoyl)thiazol-2-yl]propyl]carbamate
CID 485043
2-(1,3-Thiazole-4-carbonylamino)acetic acid;hydrochloride
CID 170912291
2-(2-hydroxyethoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 49792699
2-(N-Boc-aminomethyl)thiazole-4-carboxamide
CID 10868944
N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 85879992

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 65198787) is N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC(C)(C)O)cs1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZOFOTOZRJCDGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-6-11-7(4-14-6)8(12)10-5-9(2,3)13/h4,13H,5H2,1-3H3,(H,10,12).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 65198787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).