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

C16H18ClN3OS — CID 126768993

IUPACN-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESCCCNc1ccc(Cl)cc1NC(=O)c1scnc1C1CC1
InChIInChI=1S/C16H18ClN3OS/c1-2-7-18-12-6-5-11(17)8-13(12)20-16(21)15-14(10-3-4-10)19-9-22-15/h5-6,8-10,18H,2-4,7H2,1H3,(H,20,21)
InChIKeyPNMSIWDMBXODKB-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.75
Rot. Bonds6

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

N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 126768993) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID126768993
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC NameN-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESCCCNc1ccc(Cl)cc1NC(=O)c1scnc1C1CC1
InChIInChI=1S/C16H18ClN3OS/c1-2-7-18-12-6-5-11(17)8-13(12)20-16(21)15-14(10-3-4-10)19-9-22-15/h5-6,8-10,18H,2-4,7H2,1H3,(H,20,21)
InChIKeyPNMSIWDMBXODKB-UHFFFAOYSA-N
XLogP4.75
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide
CID 75469998
N-(2,4-dichlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54102334
N-[5-chloro-2-(propylamino)phenyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 75499293
N-[5-chloro-2-(propylamino)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75382285
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
N-(2-bromo-5-chlorophenyl)-2-(propylamino)benzamide
CID 81280415
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832
N-(2H-benzotriazol-5-yl)-4-cyclopentyl-1,3-thiazole-5-carboxamide
CID 122141772
N-(2,4-dichlorophenyl)-2-(propylamino)pyridine-4-carboxamide
CID 62186931
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62359667
N-(2-bromo-5-chlorophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 81255728

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide (CID 126768993) is N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is CCCNc1ccc(Cl)cc1NC(=O)c1scnc1C1CC1.
What is the InChIKey of N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is PNMSIWDMBXODKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-2-7-18-12-6-5-11(17)8-13(12)20-16(21)15-14(10-3-4-10)19-9-22-15/h5-6,8-10,18H,2-4,7H2,1H3,(H,20,21).
What are the key properties of N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide?
N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 335.86 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(propylamino)phenyl]-4-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126768993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).