4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine

C19H22ClN3S — CID 2040715

IUPAC4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(NC3CCCCC3)n2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C19H22ClN3S/c1-12-18(15-10-13(20)8-9-17(15)23(12)2)16-11-24-19(22-16)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,21,22)
InChIKeyJPJVUISGUUEXFV-UHFFFAOYSA-N
MW359.93 g/mol
LogP6.01
Rot. Bonds3

About 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine

4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine (PubChem CID 2040715) has the molecular formula C19H22ClN3S and a molecular weight of 359.93 g/mol. Its IUPAC name is 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine
PubChem CID2040715
Molecular FormulaC19H22ClN3S
Molecular Weight359.93 g/mol
Exact Mass359.12
IUPAC Name4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine
SMILESCc1c(-c2csc(NC3CCCCC3)n2)c2cc(Cl)ccc2n1C
InChIInChI=1S/C19H22ClN3S/c1-12-18(15-10-13(20)8-9-17(15)23(12)2)16-11-24-19(22-16)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,21,22)
InChIKeyJPJVUISGUUEXFV-UHFFFAOYSA-N
XLogP6.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.93
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine (CID 2040715) is 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine is Cc1c(-c2csc(NC3CCCCC3)n2)c2cc(Cl)ccc2n1C.
What is the InChIKey of 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine?
The InChIKey is JPJVUISGUUEXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3S/c1-12-18(15-10-13(20)8-9-17(15)23(12)2)16-11-24-19(22-16)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H,21,22).
What are the key properties of 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine?
4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine has a molecular weight of 359.93 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1,2-dimethylindol-3-yl)-N-cyclohexyl-1,3-thiazol-2-amine is sourced from PubChem (CID 2040715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).