2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

C18H13N5OS — CID 51094859

IUPAC2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc[nH]2)cs1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H13N5OS/c24-17(23-18-22-15(11-25-18)14-7-4-8-19-14)13-9-20-16(21-10-13)12-5-2-1-3-6-12/h1-11,19H,(H,22,23,24)
InChIKeyGFLAUYGDRWXXOV-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.85
Rot. Bonds4

About 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide

2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (PubChem CID 51094859) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
PubChem CID51094859
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide
SMILESO=C(Nc1nc(-c2ccc[nH]2)cs1)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H13N5OS/c24-17(23-18-22-15(11-25-18)14-7-4-8-19-14)13-9-20-16(21-10-13)12-5-2-1-3-6-12/h1-11,19H,(H,22,23,24)
InChIKeyGFLAUYGDRWXXOV-UHFFFAOYSA-N
XLogP3.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 36537742
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 24687215
(2S)-2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]butanamide
CID 35542167
1,2-dimethyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]benzimidazole-5-carboxamide
CID 51101287
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
(3S)-3-acetamido-3-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propanamide
CID 37012693
4-bromo-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 988802
N-(4-phenyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 17417127
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 40596964
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
3,5-dimethyl-4-oxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 36537520

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide (CID 51094859) is 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is O=C(Nc1nc(-c2ccc[nH]2)cs1)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
The InChIKey is GFLAUYGDRWXXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-17(23-18-22-15(11-25-18)14-7-4-8-19-14)13-9-20-16(21-10-13)12-5-2-1-3-6-12/h1-11,19H,(H,22,23,24).
What are the key properties of 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide?
2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 51094859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).