[3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol

C16H25N5OS — CID 90054551

IUPAC[3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol
SMILESCCCCn1c(CO)cnc1-c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C16H25N5OS/c1-3-4-5-21-13(12-22)10-17-15(21)14-11-18-16(23-14)20-8-6-19(2)7-9-20/h10-11,22H,3-9,12H2,1-2H3
InChIKeyKNCWSOICFJTOKK-UHFFFAOYSA-N
MW335.48 g/mol
LogP2.05
Rot. Bonds6

About [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol

[3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol (PubChem CID 90054551) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol
PubChem CID90054551
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name[3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol
SMILESCCCCn1c(CO)cnc1-c1cnc(N2CCN(C)CC2)s1
InChIInChI=1S/C16H25N5OS/c1-3-4-5-21-13(12-22)10-17-15(21)14-11-18-16(23-14)20-8-6-19(2)7-9-20/h10-11,22H,3-9,12H2,1-2H3
InChIKeyKNCWSOICFJTOKK-UHFFFAOYSA-N
XLogP2.05
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol?
The IUPAC name of [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol (CID 90054551) is [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol?
The canonical SMILES for [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol is CCCCn1c(CO)cnc1-c1cnc(N2CCN(C)CC2)s1.
What is the InChIKey of [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol?
The InChIKey is KNCWSOICFJTOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-3-4-5-21-13(12-22)10-17-15(21)14-11-18-16(23-14)20-8-6-19(2)7-9-20/h10-11,22H,3-9,12H2,1-2H3.
What are the key properties of [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol?
[3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol has a molecular weight of 335.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-butyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]imidazol-4-yl]methanol is sourced from PubChem (CID 90054551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).