2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol

C15H18N4O2S — CID 126463922

IUPAC2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol
SMILESCc1ccc(CNc2nc(C)c(-c3ccn(CCO)n3)s2)o1
InChIInChI=1S/C15H18N4O2S/c1-10-3-4-12(21-10)9-16-15-17-11(2)14(22-15)13-5-6-19(18-13)7-8-20/h3-6,20H,7-9H2,1-2H3,(H,16,17)
InChIKeyGRRVPLKTYUWTMM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.82
Rot. Bonds6

About 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol

2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol (PubChem CID 126463922) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol
PubChem CID126463922
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol
SMILESCc1ccc(CNc2nc(C)c(-c3ccn(CCO)n3)s2)o1
InChIInChI=1S/C15H18N4O2S/c1-10-3-4-12(21-10)9-16-15-17-11(2)14(22-15)13-5-6-19(18-13)7-8-20/h3-6,20H,7-9H2,1-2H3,(H,16,17)
InChIKeyGRRVPLKTYUWTMM-UHFFFAOYSA-N
XLogP2.82
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol (CID 126463922) is 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol is Cc1ccc(CNc2nc(C)c(-c3ccn(CCO)n3)s2)o1.
What is the InChIKey of 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol?
The InChIKey is GRRVPLKTYUWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-3-4-12(21-10)9-16-15-17-11(2)14(22-15)13-5-6-19(18-13)7-8-20/h3-6,20H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol?
2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol has a molecular weight of 318.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126463922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).