(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate

C14H10N4O2S — CID 90300912

IUPAC(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)Oc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H10N4O2S/c19-14(18-13-15-6-7-21-13)20-11-8-16-12(17-9-11)10-4-2-1-3-5-10/h1-9H,(H,15,18,19)
InChIKeyJMHAAPLISNGAOB-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.21
Rot. Bonds3

About (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate

(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate (PubChem CID 90300912) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Name(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate
PubChem CID90300912
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)Oc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C14H10N4O2S/c19-14(18-13-15-6-7-21-13)20-11-8-16-12(17-9-11)10-4-2-1-3-5-10/h1-9H,(H,15,18,19)
InChIKeyJMHAAPLISNGAOB-UHFFFAOYSA-N
XLogP3.21
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
(5-aminothiophen-3-yl) N-(1,3-thiazol-2-yl)carbamate
CID 121248864
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
3,3-diphenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 154975421
2-phenoxy-N-(1,3-thiazol-2-yl)propanamide
CID 4279674
4-amino-3-phenyl-N-(1,3-thiazol-2-yl)benzamide
CID 86046995
2-chloro-5-phenyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 10448430
4-(2-phenylethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 4956346
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308
N-[(Z)-1-chloro-3-oxo-1-phenyl-3-(1,3-thiazol-2-ylamino)prop-1-en-2-yl]benzamide
CID 6172710
1,3-thiazol-2-ylmethyl N-(1,3-thiazol-2-yl)carbamate
CID 143406687
N'-[(Z)-benzylideneamino]-N-(1,3-thiazol-2-yl)oxamide
CID 39353137

Frequently Asked Questions

What is the IUPAC name of (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate (CID 90300912) is (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate is O=C(Nc1nccs1)Oc1cnc(-c2ccccc2)nc1.
What is the InChIKey of (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is JMHAAPLISNGAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c19-14(18-13-15-6-7-21-13)20-11-8-16-12(17-9-11)10-4-2-1-3-5-10/h1-9H,(H,15,18,19).
What are the key properties of (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate?
(2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 298.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylpyrimidin-5-yl) N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 90300912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).