N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide

C19H15ClN4O2S — CID 75469998

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1scnc1C1CC1
InChIInChI=1S/C19H15ClN4O2S/c20-12-7-8-15(21-9-12)24-18(25)13-3-1-2-4-14(13)23-19(26)17-16(11-5-6-11)22-10-27-17/h1-4,7-11H,5-6H2,(H,23,26)(H,21,24,25)
InChIKeyAXZGKHQXDGJGFJ-UHFFFAOYSA-N
MW398.88 g/mol
LogP4.57
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 75469998) has the molecular formula C19H15ClN4O2S and a molecular weight of 398.88 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID75469998
Molecular FormulaC19H15ClN4O2S
Molecular Weight398.88 g/mol
Exact Mass398.06
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1scnc1C1CC1
InChIInChI=1S/C19H15ClN4O2S/c20-12-7-8-15(21-9-12)24-18(25)13-3-1-2-4-14(13)23-19(26)17-16(11-5-6-11)22-10-27-17/h1-4,7-11H,5-6H2,(H,23,26)(H,21,24,25)
InChIKeyAXZGKHQXDGJGFJ-UHFFFAOYSA-N
XLogP4.57
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.88
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-prop-1-en-2-ylbenzoyl)amino]benzamide
CID 59089747
4-cyclopentyl-N-(1H-indazol-7-yl)-1,3-thiazole-5-carboxamide
CID 86790966
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-1-(thian-4-yl)piperidine-4-carboxamide
CID 173199600
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-N-(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 131737247
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 52867425
4-cyclopropyl-N-hydroxy-1,3-thiazole-5-carboxamide
CID 130890993
N-(5-chloro-2-pyridinyl)-2-(2-methylpent-2-enoylamino)benzamide
CID 72687525
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-ethanimidoyl-2-(methylamino)benzamide
CID 140603963
4-acetyl-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 60602716
N-(5-bromo-2-pyridinyl)-2-[(2-chlorobenzoyl)amino]benzamide
CID 1268365

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (CID 75469998) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccccc1NC(=O)c1scnc1C1CC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is AXZGKHQXDGJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2S/c20-12-7-8-15(21-9-12)24-18(25)13-3-1-2-4-14(13)23-19(26)17-16(11-5-6-11)22-10-27-17/h1-4,7-11H,5-6H2,(H,23,26)(H,21,24,25).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 398.88 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75469998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).