N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide

C19H16ClN3O2S — CID 142697324

IUPACN-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2csc(Nc3ccc(OC)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-3-18(24)21-13-6-4-12(5-7-13)16-11-26-19(23-16)22-14-8-9-17(25-2)15(20)10-14/h3-11H,1H2,2H3,(H,21,24)(H,22,23)
InChIKeyHHHLJSIFFAVRQP-UHFFFAOYSA-N
MW385.88 g/mol
LogP5.34
Rot. Bonds6

About N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide

N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide (PubChem CID 142697324) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
PubChem CID142697324
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC NameN-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(-c2csc(Nc3ccc(OC)c(Cl)c3)n2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-3-18(24)21-13-6-4-12(5-7-13)16-11-26-19(23-16)22-14-8-9-17(25-2)15(20)10-14/h3-11H,1H2,2H3,(H,21,24)(H,22,23)
InChIKeyHHHLJSIFFAVRQP-UHFFFAOYSA-N
XLogP5.34
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.88
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromophenyl)-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 142697325
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 43405521
4-[4-(butylamino)phenyl]-N-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-amine
CID 163907531
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
2-chloro-N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 42764618
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
N-[4-[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]cyclopropanecarboxamide
CID 3880487
(E)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1,3-thiazol-4-yl)prop-2-enamide
CID 49319838
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-[2-(2,4-dimethoxyanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 1092446
3-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]but-2-enamide
CID 110492935

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide (CID 142697324) is N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(-c2csc(Nc3ccc(OC)c(Cl)c3)n2)cc1.
What is the InChIKey of N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide?
The InChIKey is HHHLJSIFFAVRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-3-18(24)21-13-6-4-12(5-7-13)16-11-26-19(23-16)22-14-8-9-17(25-2)15(20)10-14/h3-11H,1H2,2H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide?
N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide has a molecular weight of 385.88 g/mol, XLogP of 5.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chloro-4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 142697324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).