4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine

C18H13ClN4S — CID 2788394

IUPAC4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C18H13ClN4S/c19-14-7-5-12(6-8-14)17-11-24-18(22-17)23-21-10-13-9-20-16-4-2-1-3-15(13)16/h1-11,20H,(H,22,23)
InChIKeyHFAWWSMSCNKBBA-UHFFFAOYSA-N
MW352.85 g/mol
LogP5.39
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine

4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine (PubChem CID 2788394) has the molecular formula C18H13ClN4S and a molecular weight of 352.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
PubChem CID2788394
Molecular FormulaC18H13ClN4S
Molecular Weight352.85 g/mol
Exact Mass352.05
IUPAC Name4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2csc(NN=Cc3c[nH]c4ccccc34)n2)cc1
InChIInChI=1S/C18H13ClN4S/c19-14-7-5-12(6-8-14)17-11-24-18(22-17)23-21-10-13-9-20-16-4-2-1-3-15(13)16/h1-11,20H,(H,22,23)
InChIKeyHFAWWSMSCNKBBA-UHFFFAOYSA-N
XLogP5.39
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.85
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_thiophene_A(11)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 135719316
4-(4-chlorophenyl)-N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110534611
4-(4-chlorophenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2845165
4-(4-chlorophenyl)-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]-1,3-thiazol-2-amine
CID 110533680
3-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]chromen-2-one
CID 171979289
1-[(E)-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135607363
N-[(2-chlorophenyl)methylideneamino]-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 5230567
4-(4-fluorophenyl)-N-[(Z)-(2-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 6107922
N-(naphthalen-1-ylmethylideneamino)-4-phenyl-1,3-thiazol-2-amine
CID 40562842
1-(1H-indol-3-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanimine
CID 137224330
2-[(E)-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 135685310
4-(4-chlorophenyl)-N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 73385550

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine (CID 2788394) is 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine is Clc1ccc(-c2csc(NN=Cc3c[nH]c4ccccc34)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine?
The InChIKey is HFAWWSMSCNKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4S/c19-14-7-5-12(6-8-14)17-11-24-18(22-17)23-21-10-13-9-20-16-4-2-1-3-15(13)16/h1-11,20H,(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine?
4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine has a molecular weight of 352.85 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(1H-indol-3-ylmethylideneamino)-1,3-thiazol-2-amine is sourced from PubChem (CID 2788394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).