4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine

C26H28ClN3S — CID 4890388

IUPAC4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(NC3CCCC(C)C3)n2)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C26H28ClN3S/c1-17-7-6-10-21(13-17)28-26-29-23(16-31-26)25-18(2)30(15-19-8-4-3-5-9-19)24-12-11-20(27)14-22(24)25/h3-5,8-9,11-12,14,16-17,21H,6-7,10,13,15H2,1-2H3,(H,28,29)
InChIKeySUUWNEWJVBGIPX-UHFFFAOYSA-N
MW450.05 g/mol
LogP7.77
Rot. Bonds5

About 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine

4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 4890388) has the molecular formula C26H28ClN3S and a molecular weight of 450.05 g/mol. Its IUPAC name is 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID4890388
Molecular FormulaC26H28ClN3S
Molecular Weight450.05 g/mol
Exact Mass449.17
IUPAC Name4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(NC3CCCC(C)C3)n2)c2cc(Cl)ccc2n1Cc1ccccc1
InChIInChI=1S/C26H28ClN3S/c1-17-7-6-10-21(13-17)28-26-29-23(16-31-26)25-18(2)30(15-19-8-4-3-5-9-19)24-12-11-20(27)14-22(24)25/h3-5,8-9,11-12,14,16-17,21H,6-7,10,13,15H2,1-2H3,(H,28,29)
InChIKeySUUWNEWJVBGIPX-UHFFFAOYSA-N
XLogP7.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.05
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 4890507
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
4-chloro-2-methyl-N-(3-methylcyclohexyl)aniline
CID 43111567
1-[5-chloro-2-methyl-3-[2-[(6-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]indol-1-yl]ethanone
CID 139972673
6-chloro-3-(2-hydrazinyl-1,3-thiazol-4-yl)-1-methyl-4-phenylquinolin-2-one
CID 53348929
1-(1-benzyl-5-chloro-2-methylindol-3-yl)ethanone
CID 23552892
2-methyl-N-(3-methylcyclohexyl)quinolin-4-amine
CID 43428308
3,5-dichloro-N-(3-methylcyclohexyl)aniline
CID 43111020
4-(2-bromo-5-chlorophenyl)-N-cyclopropyl-1,3-thiazol-2-amine
CID 86657720
5-chloro-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
CID 130804866

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine (CID 4890388) is 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is Cc1c(-c2csc(NC3CCCC(C)C3)n2)c2cc(Cl)ccc2n1Cc1ccccc1.
What is the InChIKey of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is SUUWNEWJVBGIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3S/c1-17-7-6-10-21(13-17)28-26-29-23(16-31-26)25-18(2)30(15-19-8-4-3-5-9-19)24-12-11-20(27)14-22(24)25/h3-5,8-9,11-12,14,16-17,21H,6-7,10,13,15H2,1-2H3,(H,28,29).
What are the key properties of 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine?
4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 450.05 g/mol, XLogP of 7.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyl-5-chloro-2-methylindol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 4890388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).