N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide

C8H12N2O3S — CID 143320313

IUPACN-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(CO)CO)c1cscn1
InChIInChI=1S/C8H12N2O3S/c11-2-6(3-12)1-9-8(13)7-4-14-5-10-7/h4-6,11-12H,1-3H2,(H,9,13)
InChIKeyHXJXGFAMWSBAPO-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.53
Rot. Bonds5

About N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide

N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 143320313) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID143320313
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(CO)CO)c1cscn1
InChIInChI=1S/C8H12N2O3S/c11-2-6(3-12)1-9-8(13)7-4-14-5-10-7/h4-6,11-12H,1-3H2,(H,9,13)
InChIKeyHXJXGFAMWSBAPO-UHFFFAOYSA-N
XLogP-0.53
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-hydroxyethyl)-4-methylpentyl]-1,3-thiazole-4-carboxamide
CID 111662589
N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-4-carboxamide
CID 66106843
3-methyl-4-(1,3-thiazole-4-carbonylamino)butanoic acid
CID 84587793
N-(2-chloro-2-cyclopropylethyl)-1,3-thiazole-4-carboxamide
CID 114304998
N-(2-bromo-3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 114309848
N-prop-2-enyl-1,3-thiazole-4-carboxamide
CID 63038406
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119525591
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
N-(3-methyl-2-pyrrolidin-1-ylbutyl)-1,3-thiazole-4-carboxamide
CID 63049087
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide (CID 143320313) is N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide is O=C(NCC(CO)CO)c1cscn1.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HXJXGFAMWSBAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c11-2-6(3-12)1-9-8(13)7-4-14-5-10-7/h4-6,11-12H,1-3H2,(H,9,13).
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide?
N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 216.26 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143320313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).