N-propan-2-yl-1,3-thiazole-5-carboxamide

C7H10N2OS — CID 23525711

IUPACN-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cncs1
InChIInChI=1S/C7H10N2OS/c1-5(2)9-7(10)6-3-8-4-11-6/h3-5H,1-2H3,(H,9,10)
InChIKeySDNRIKMMPVLPTO-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.28
Rot. Bonds2

About N-propan-2-yl-1,3-thiazole-5-carboxamide

N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 23525711) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID23525711
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)NC(=O)c1cncs1
InChIInChI=1S/C7H10N2OS/c1-5(2)9-7(10)6-3-8-4-11-6/h3-5H,1-2H3,(H,9,10)
InChIKeySDNRIKMMPVLPTO-UHFFFAOYSA-N
XLogP1.28
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
tert-butyl (2S)-2-(1,3-thiazole-5-carbonylamino)propanoate
CID 103822380
N'-(1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 139226744
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
N-[(2R)-1-hydroxybutan-2-yl]-1,3-thiazole-5-carboxamide
CID 103920352
N-[2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103931770
N-(1-hydroxypentan-3-yl)-1,3-thiazole-5-carboxamide
CID 103850626
1-methyl-1-(1,3-thiazole-5-carbonylamino)urea
CID 130710603
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
(1,3-thiazole-5-carbonylamino)carbamic acid
CID 123379520
N-(2-aminoethyl)-1,3-thiazole-5-carboxamide
CID 83617604
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 23525711) is N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-1,3-thiazole-5-carboxamide is CC(C)NC(=O)c1cncs1.
What is the InChIKey of N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is SDNRIKMMPVLPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5(2)9-7(10)6-3-8-4-11-6/h3-5H,1-2H3,(H,9,10).
What are the key properties of N-propan-2-yl-1,3-thiazole-5-carboxamide?
N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 170.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23525711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).