[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

C17H21N3OS — CID 39197050

IUPAC[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCc1sc2nc(-c3ccc(OC(C)C)cc3)c(CN)n2c1C
InChIInChI=1S/C17H21N3OS/c1-10(2)21-14-7-5-13(6-8-14)16-15(9-18)20-11(3)12(4)22-17(20)19-16/h5-8,10H,9,18H2,1-4H3
InChIKeyVNIIMIPZPZAXJP-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.93
Rot. Bonds4

About [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine

[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (PubChem CID 39197050) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
PubChem CID39197050
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
SMILESCc1sc2nc(-c3ccc(OC(C)C)cc3)c(CN)n2c1C
InChIInChI=1S/C17H21N3OS/c1-10(2)21-14-7-5-13(6-8-14)16-15(9-18)20-11(3)12(4)22-17(20)19-16/h5-8,10H,9,18H2,1-4H3
InChIKeyVNIIMIPZPZAXJP-UHFFFAOYSA-N
XLogP3.93
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The IUPAC name of [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine (CID 39197050) is [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine.
What is the SMILES notation for [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The canonical SMILES for [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is Cc1sc2nc(-c3ccc(OC(C)C)cc3)c(CN)n2c1C.
What is the InChIKey of [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
The InChIKey is VNIIMIPZPZAXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-10(2)21-14-7-5-13(6-8-14)16-15(9-18)20-11(3)12(4)22-17(20)19-16/h5-8,10H,9,18H2,1-4H3.
What are the key properties of [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine?
[2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine has a molecular weight of 315.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine is sourced from PubChem (CID 39197050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).