6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine

C16H25N3S — CID 162406364

IUPAC6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(C2CC2)nc2sccn12
InChIInChI=1S/C16H25N3S/c1-15(2,3)10-16(4,5)18-13-12(11-6-7-11)17-14-19(13)8-9-20-14/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyISXPEQBVXXBSPI-UHFFFAOYSA-N
MW291.46 g/mol
LogP4.90
Rot. Bonds4

About 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine

6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 162406364) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID162406364
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCC(C)(C)CC(C)(C)Nc1c(C2CC2)nc2sccn12
InChIInChI=1S/C16H25N3S/c1-15(2,3)10-16(4,5)18-13-12(11-6-7-11)17-14-19(13)8-9-20-14/h8-9,11,18H,6-7,10H2,1-5H3
InChIKeyISXPEQBVXXBSPI-UHFFFAOYSA-N
XLogP4.90
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 162406364) is 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine is CC(C)(C)CC(C)(C)Nc1c(C2CC2)nc2sccn12.
What is the InChIKey of 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is ISXPEQBVXXBSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-15(2,3)10-16(4,5)18-13-12(11-6-7-11)17-14-19(13)8-9-20-14/h8-9,11,18H,6-7,10H2,1-5H3.
What are the key properties of 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine?
6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 291.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 162406364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).