N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide

C12H17N3OS — CID 6623525

IUPACN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-12(2,3)6-10(16)13-7-9-8-15-4-5-17-11(15)14-9/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyBITJSFWSXUZKQY-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.45
Rot. Bonds3

About N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide (PubChem CID 6623525) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide
PubChem CID6623525
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1cn2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-12(2,3)6-10(16)13-7-9-8-15-4-5-17-11(15)14-9/h4-5,8H,6-7H2,1-3H3,(H,13,16)
InChIKeyBITJSFWSXUZKQY-UHFFFAOYSA-N
XLogP2.45
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide (CID 6623525) is N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1cn2ccsc2n1.
What is the InChIKey of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide?
The InChIKey is BITJSFWSXUZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-12(2,3)6-10(16)13-7-9-8-15-4-5-17-11(15)14-9/h4-5,8H,6-7H2,1-3H3,(H,13,16).
What are the key properties of N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide?
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide has a molecular weight of 251.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 6623525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).