N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

C19H16ClN3OS — CID 42765483

IUPACN-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)C1CC1
InChIInChI=1S/C19H16ClN3OS/c20-14-6-8-15(9-7-14)22-19-23-17(11-25-19)13-2-1-3-16(10-13)21-18(24)12-4-5-12/h1-3,6-12H,4-5H2,(H,21,24)(H,22,23)
InChIKeyTXAULIBTDFAVMR-UHFFFAOYSA-N
MW369.88 g/mol
LogP5.56
Rot. Bonds5

About N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide

N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (PubChem CID 42765483) has the molecular formula C19H16ClN3OS and a molecular weight of 369.88 g/mol. Its IUPAC name is N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
PubChem CID42765483
Molecular FormulaC19H16ClN3OS
Molecular Weight369.88 g/mol
Exact Mass369.07
IUPAC NameN-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)C1CC1
InChIInChI=1S/C19H16ClN3OS/c20-14-6-8-15(9-7-14)22-19-23-17(11-25-19)13-2-1-3-16(10-13)21-18(24)12-4-5-12/h1-3,6-12H,4-5H2,(H,21,24)(H,22,23)
InChIKeyTXAULIBTDFAVMR-UHFFFAOYSA-N
XLogP5.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.88
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
4-(3-chlorophenyl)-N-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 53338312
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]-4-methoxybenzamide
CID 5151529
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]octanamide
CID 5216456
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
CID 108748401
N-[4-[3-(4-cyanoanilino)phenyl]-1,3-thiazol-2-yl]-4-methoxycyclohexane-1-carboxamide
CID 155410183
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]benzamide
CID 46880290
3-(cyclopropanecarbonylamino)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 134049851
N-[3-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 24505642
1-(4-chlorobenzoyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 32622900
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18899084
N-[3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]cyclopropanecarboxamide
CID 9173830

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide (CID 42765483) is N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1)C1CC1.
What is the InChIKey of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is TXAULIBTDFAVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3OS/c20-14-6-8-15(9-7-14)22-19-23-17(11-25-19)13-2-1-3-16(10-13)21-18(24)12-4-5-12/h1-3,6-12H,4-5H2,(H,21,24)(H,22,23).
What are the key properties of N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide?
N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 369.88 g/mol, XLogP of 5.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 42765483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).