2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide

C12H17N3OS — CID 42924516

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-8(2)9(3)13-11(16)6-10-7-15-4-5-17-12(15)14-10/h4-5,7-9H,6H2,1-3H3,(H,13,16)
InChIKeyLNXKILNDKRHHRX-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.10
Rot. Bonds4

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide

2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide (PubChem CID 42924516) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide
PubChem CID42924516
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C12H17N3OS/c1-8(2)9(3)13-11(16)6-10-7-15-4-5-17-12(15)14-10/h4-5,7-9H,6H2,1-3H3,(H,13,16)
InChIKeyLNXKILNDKRHHRX-UHFFFAOYSA-N
XLogP2.10
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide (CID 42924516) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is LNXKILNDKRHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-8(2)9(3)13-11(16)6-10-7-15-4-5-17-12(15)14-10/h4-5,7-9H,6H2,1-3H3,(H,13,16).
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide?
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 251.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 42924516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).