5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

C17H31ClN4S — CID 120901379

IUPAC5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)C1CCC(N2CCN(Cc3cnc(N)s3)CC2)CC1.Cl
InChIInChI=1S/C17H30N4S.ClH/c1-13(2)14-3-5-15(6-4-14)21-9-7-20(8-10-21)12-16-11-19-17(18)22-16;/h11,13-15H,3-10,12H2,1-2H3,(H2,18,19);1H
InChIKeyBRSYTDDSZUGHLC-UHFFFAOYSA-N
MW358.98 g/mol
LogP3.48
Rot. Bonds4

About 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901379) has the molecular formula C17H31ClN4S and a molecular weight of 358.98 g/mol. Its IUPAC name is 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901379
Molecular FormulaC17H31ClN4S
Molecular Weight358.98 g/mol
Exact Mass358.20
IUPAC Name5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)C1CCC(N2CCN(Cc3cnc(N)s3)CC2)CC1.Cl
InChIInChI=1S/C17H30N4S.ClH/c1-13(2)14-3-5-15(6-4-14)21-9-7-20(8-10-21)12-16-11-19-17(18)22-16;/h11,13-15H,3-10,12H2,1-2H3,(H2,18,19);1H
InChIKeyBRSYTDDSZUGHLC-UHFFFAOYSA-N
XLogP3.48
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.98
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901379) is 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)C1CCC(N2CCN(Cc3cnc(N)s3)CC2)CC1.Cl.
What is the InChIKey of 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BRSYTDDSZUGHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4S.ClH/c1-13(2)14-3-5-15(6-4-14)21-9-7-20(8-10-21)12-16-11-19-17(18)22-16;/h11,13-15H,3-10,12H2,1-2H3,(H2,18,19);1H.
What are the key properties of 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 358.98 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).