2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol

C14H18N4OS2 — CID 146140550

IUPAC2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCN(Cc1csc(C(C)(C)O)n1)Cc1cn2ccnc2s1
InChIInChI=1S/C14H18N4OS2/c1-14(2,19)12-16-10(9-20-12)6-17(3)7-11-8-18-5-4-15-13(18)21-11/h4-5,8-9,19H,6-7H2,1-3H3
InChIKeyOXTYLCRADTVCRB-UHFFFAOYSA-N
MW322.46 g/mol
LogP2.71
Rot. Bonds5

About 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol

2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 146140550) has the molecular formula C14H18N4OS2 and a molecular weight of 322.46 g/mol. Its IUPAC name is 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol
PubChem CID146140550
Molecular FormulaC14H18N4OS2
Molecular Weight322.46 g/mol
Exact Mass322.09
IUPAC Name2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol
SMILESCN(Cc1csc(C(C)(C)O)n1)Cc1cn2ccnc2s1
InChIInChI=1S/C14H18N4OS2/c1-14(2,19)12-16-10(9-20-12)6-17(3)7-11-8-18-5-4-15-13(18)21-11/h4-5,8-9,19H,6-7H2,1-3H3
InChIKeyOXTYLCRADTVCRB-UHFFFAOYSA-N
XLogP2.71
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol (CID 146140550) is 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol is CN(Cc1csc(C(C)(C)O)n1)Cc1cn2ccnc2s1.
What is the InChIKey of 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is OXTYLCRADTVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS2/c1-14(2,19)12-16-10(9-20-12)6-17(3)7-11-8-18-5-4-15-13(18)21-11/h4-5,8-9,19H,6-7H2,1-3H3.
What are the key properties of 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol?
2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 322.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[imidazo[2,1-b][1,3]thiazol-2-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 146140550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).