phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate

C15H11N3O2S — CID 87406304

IUPACphenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2ccncc2)cs1)Oc1ccccc1
InChIInChI=1S/C15H11N3O2S/c19-15(20-12-4-2-1-3-5-12)18-14-17-13(10-21-14)11-6-8-16-9-7-11/h1-10H,(H,17,18,19)
InChIKeyJEKAYFHYHBTNIB-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.82
Rot. Bonds3

About phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate

phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 87406304) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
PubChem CID87406304
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Namephenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nc(-c2ccncc2)cs1)Oc1ccccc1
InChIInChI=1S/C15H11N3O2S/c19-15(20-12-4-2-1-3-5-12)18-14-17-13(10-21-14)11-6-8-16-9-7-11/h1-10H,(H,17,18,19)
InChIKeyJEKAYFHYHBTNIB-UHFFFAOYSA-N
XLogP3.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
phenyl N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]carbamate
CID 19227173
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamoyl]benzamide
CID 88898768
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
4-methyl-1,3-thiazol-2-amine;phenyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 157237511
2-methyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 4800922
N-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 110443762
1-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 1044223
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 110492822
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 28861376

Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate (CID 87406304) is phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate is O=C(Nc1nc(-c2ccncc2)cs1)Oc1ccccc1.
What is the InChIKey of phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is JEKAYFHYHBTNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-15(20-12-4-2-1-3-5-12)18-14-17-13(10-21-14)11-6-8-16-9-7-11/h1-10H,(H,17,18,19).
What are the key properties of phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate?
phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 297.34 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-pyridin-4-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 87406304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).