1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine

C17H21ClN2S — CID 61337892

IUPAC1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
SMILESCc1sc(C2(N)CCC(C)CC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2S/c1-11-7-9-17(19,10-8-11)16-20-15(12(2)21-16)13-3-5-14(18)6-4-13/h3-6,11H,7-10,19H2,1-2H3
InChIKeyPDEAAUOXKFWZJN-UHFFFAOYSA-N
MW320.89 g/mol
LogP5.14
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine

1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine (PubChem CID 61337892) has the molecular formula C17H21ClN2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
PubChem CID61337892
Molecular FormulaC17H21ClN2S
Molecular Weight320.89 g/mol
Exact Mass320.11
IUPAC Name1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
SMILESCc1sc(C2(N)CCC(C)CC2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2S/c1-11-7-9-17(19,10-8-11)16-20-15(12(2)21-16)13-3-5-14(18)6-4-13/h3-6,11H,7-10,19H2,1-2H3
InChIKeyPDEAAUOXKFWZJN-UHFFFAOYSA-N
XLogP5.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.89
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine (CID 61337892) is 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine is Cc1sc(C2(N)CCC(C)CC2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
The InChIKey is PDEAAUOXKFWZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2S/c1-11-7-9-17(19,10-8-11)16-20-15(12(2)21-16)13-3-5-14(18)6-4-13/h3-6,11H,7-10,19H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine?
1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine has a molecular weight of 320.89 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 61337892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).