5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C16H22N4S — CID 120897558

IUPAC5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN2CCN(Cc3cnc(N)s3)CC2)c1
InChIInChI=1S/C16H22N4S/c1-13-3-2-4-14(9-13)11-19-5-7-20(8-6-19)12-15-10-18-16(17)21-15/h2-4,9-10H,5-8,11-12H2,1H3,(H2,17,18)
InChIKeyVTGARYHDLMLVIY-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.35
Rot. Bonds4

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

5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120897558) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120897558
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc(CN2CCN(Cc3cnc(N)s3)CC2)c1
InChIInChI=1S/C16H22N4S/c1-13-3-2-4-14(9-13)11-19-5-7-20(8-6-19)12-15-10-18-16(17)21-15/h2-4,9-10H,5-8,11-12H2,1H3,(H2,17,18)
InChIKeyVTGARYHDLMLVIY-UHFFFAOYSA-N
XLogP2.35
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897945
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904553
4-[(2-amino-1,3-thiazol-5-yl)methyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120903826
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897575
5-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897925
5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120902329
5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120897558) is 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1cccc(CN2CCN(Cc3cnc(N)s3)CC2)c1.
What is the InChIKey of 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VTGARYHDLMLVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-13-3-2-4-14(9-13)11-19-5-7-20(8-6-19)12-15-10-18-16(17)21-15/h2-4,9-10H,5-8,11-12H2,1H3,(H2,17,18).
What are the key properties of 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120897558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).