[4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol

C15H18N6OS — CID 76753524

IUPAC[4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol
SMILESCc1cn2c(-c3cncc(NC4CNC(CO)C4)n3)cnc2s1
InChIInChI=1S/C15H18N6OS/c1-9-7-21-13(5-18-15(21)23-9)12-4-16-6-14(20-12)19-10-2-11(8-22)17-3-10/h4-7,10-11,17,22H,2-3,8H2,1H3,(H,19,20)
InChIKeyMDMCHENOJJXLDM-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.30
Rot. Bonds4

About [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol

[4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol (PubChem CID 76753524) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol
PubChem CID76753524
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC Name[4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol
SMILESCc1cn2c(-c3cncc(NC4CNC(CO)C4)n3)cnc2s1
InChIInChI=1S/C15H18N6OS/c1-9-7-21-13(5-18-15(21)23-9)12-4-16-6-14(20-12)19-10-2-11(8-22)17-3-10/h4-7,10-11,17,22H,2-3,8H2,1H3,(H,19,20)
InChIKeyMDMCHENOJJXLDM-UHFFFAOYSA-N
XLogP1.30
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol?
The IUPAC name of [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol (CID 76753524) is [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol is Cc1cn2c(-c3cncc(NC4CNC(CO)C4)n3)cnc2s1.
What is the InChIKey of [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol?
The InChIKey is MDMCHENOJJXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-9-7-21-13(5-18-15(21)23-9)12-4-16-6-14(20-12)19-10-2-11(8-22)17-3-10/h4-7,10-11,17,22H,2-3,8H2,1H3,(H,19,20).
What are the key properties of [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol?
[4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol has a molecular weight of 330.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(2-methylimidazo[2,1-b][1,3]thiazol-5-yl)pyrazin-2-yl]amino]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 76753524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).