4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine

C20H23ClN2S2 — CID 58791925

IUPAC4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine
SMILESCCCCCCCc1ccc(Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C20H23ClN2S2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)22-20-23-17(14-24-20)18-12-13-19(21)25-18/h8-14H,2-7H2,1H3,(H,22,23)
InChIKeyPQMLKHLTQRLJJJ-UHFFFAOYSA-N
MW391.01 g/mol
LogP7.78
Rot. Bonds9

About 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine

4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine (PubChem CID 58791925) has the molecular formula C20H23ClN2S2 and a molecular weight of 391.01 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine
PubChem CID58791925
Molecular FormulaC20H23ClN2S2
Molecular Weight391.01 g/mol
Exact Mass390.10
IUPAC Name4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine
SMILESCCCCCCCc1ccc(Nc2nc(-c3ccc(Cl)s3)cs2)cc1
InChIInChI=1S/C20H23ClN2S2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)22-20-23-17(14-24-20)18-12-13-19(21)25-18/h8-14H,2-7H2,1H3,(H,22,23)
InChIKeyPQMLKHLTQRLJJJ-UHFFFAOYSA-N
XLogP7.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.01
LogP ≤ 57.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 58791311
4-(2,4-difluorophenyl)-N-(4-pentylphenyl)-1,3-thiazol-2-amine
CID 87078108
4-benzyl-N-(4-heptylphenyl)-1,3-thiazol-2-amine
CID 58791246
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
N-ethyl-4-nonylaniline
CID 154108619
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
N-methyl-4-nonadecylaniline
CID 175903606
4-hexadecyl-N-methylaniline
CID 22361119
(2R)-2-chloro-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]propanamide
CID 2369609
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine (CID 58791925) is 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine is CCCCCCCc1ccc(Nc2nc(-c3ccc(Cl)s3)cs2)cc1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
The InChIKey is PQMLKHLTQRLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2S2/c1-2-3-4-5-6-7-15-8-10-16(11-9-15)22-20-23-17(14-24-20)18-12-13-19(21)25-18/h8-14H,2-7H2,1H3,(H,22,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine?
4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine has a molecular weight of 391.01 g/mol, XLogP of 7.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-(4-heptylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58791925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).