propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate

C12H13N3O3S — CID 88558146

IUPACpropan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)OC(=O)Nc1nc(-c2cc(=O)cc[nH]2)cs1
InChIInChI=1S/C12H13N3O3S/c1-7(2)18-12(17)15-11-14-10(6-19-11)9-5-8(16)3-4-13-9/h3-7H,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyQDIXZDPTCVVKEF-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.46
Rot. Bonds3

About propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate

propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 88558146) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID88558146
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namepropan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)OC(=O)Nc1nc(-c2cc(=O)cc[nH]2)cs1
InChIInChI=1S/C12H13N3O3S/c1-7(2)18-12(17)15-11-14-10(6-19-11)9-5-8(16)3-4-13-9/h3-7H,1-2H3,(H,13,16)(H,14,15,17)
InChIKeyQDIXZDPTCVVKEF-UHFFFAOYSA-N
XLogP2.46
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenoxy)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 112835127
(2R)-2-but-3-enoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 94211452
N-[4-(7-methoxy-8-methyl-4-oxo-1H-quinolin-2-yl)-1,3-thiazol-2-yl]acetamide
CID 89323595
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
trans-(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 31349965
6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 36537742
propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CID 133058956
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
CID 51101287
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
tert-butyl N-[4-(6-methylnaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 163770147
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 24687215

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate (CID 88558146) is propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate is CC(C)OC(=O)Nc1nc(-c2cc(=O)cc[nH]2)cs1.
What is the InChIKey of propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is QDIXZDPTCVVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7(2)18-12(17)15-11-14-10(6-19-11)9-5-8(16)3-4-13-9/h3-7H,1-2H3,(H,13,16)(H,14,15,17).
What are the key properties of propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate?
propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 279.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[4-(4-oxo-1H-pyridin-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 88558146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).