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

C16H20ClN5OS — CID 120900128

IUPAC5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc2oc(N3CCN(Cc4cnc(N)s4)CC3)nc2c1.Cl
InChIInChI=1S/C16H19N5OS.ClH/c1-11-2-3-14-13(8-11)19-16(22-14)21-6-4-20(5-7-21)10-12-9-18-15(17)23-12;/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18);1H
InChIKeyUYJNJXLMAVPFOA-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.92
Rot. Bonds3

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

5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120900128) has the molecular formula C16H20ClN5OS and a molecular weight of 365.89 g/mol. Its IUPAC name is 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120900128
Molecular FormulaC16H20ClN5OS
Molecular Weight365.89 g/mol
Exact Mass365.11
IUPAC Name5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc2oc(N3CCN(Cc4cnc(N)s4)CC3)nc2c1.Cl
InChIInChI=1S/C16H19N5OS.ClH/c1-11-2-3-14-13(8-11)19-16(22-14)21-6-4-20(5-7-21)10-12-9-18-15(17)23-12;/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18);1H
InChIKeyUYJNJXLMAVPFOA-UHFFFAOYSA-N
XLogP2.92
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120900128) is 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cc1ccc2oc(N3CCN(Cc4cnc(N)s4)CC3)nc2c1.Cl.
What is the InChIKey of 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is UYJNJXLMAVPFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS.ClH/c1-11-2-3-14-13(8-11)19-16(22-14)21-6-4-20(5-7-21)10-12-9-18-15(17)23-12;/h2-3,8-9H,4-7,10H2,1H3,(H2,17,18);1H.
What are the key properties of 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 365.89 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120900128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).