N-phenyl-1,3-thiazole-4-carboxamide

C10H8N2OS — CID 62045972

IUPACN-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cscn1
InChIInChI=1S/C10H8N2OS/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeySYNYICWDYJEXNY-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.40
Rot. Bonds2

About N-phenyl-1,3-thiazole-4-carboxamide

N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 62045972) has the molecular formula C10H8N2OS and a molecular weight of 204.25 g/mol. Its IUPAC name is N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-phenyl-1,3-thiazole-4-carboxamide
PubChem CID62045972
Molecular FormulaC10H8N2OS
Molecular Weight204.25 g/mol
Exact Mass204.04
IUPAC NameN-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cscn1
InChIInChI=1S/C10H8N2OS/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKeySYNYICWDYJEXNY-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-anilino-1H-pyrrol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 90149631
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 55143046
N-(3,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 62045147
N-[4-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 62046167
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
CID 131938859
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-[3-(3-bromopropyl)phenyl]-1,3-thiazole-4-carboxamide
CID 113397924
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507
N-(4-chloro-3-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 64787879
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-phenyl-1,3-thiazole-4-carboxamide (CID 62045972) is N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1)c1cscn1.
What is the InChIKey of N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is SYNYICWDYJEXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2OS/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8/h1-7H,(H,12,13).
What are the key properties of N-phenyl-1,3-thiazole-4-carboxamide?
N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 204.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62045972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).