4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine

C12H19N3S — CID 115334708

IUPAC4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCc1cn2ccsc2n1
InChIInChI=1S/C12H19N3S/c1-10(2)13-6-4-3-5-11-9-15-7-8-16-12(15)14-11/h7-10,13H,3-6H2,1-2H3
InChIKeyXVJINXJBIADRSS-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.72
Rot. Bonds6

About 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine

4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine (PubChem CID 115334708) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
PubChem CID115334708
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCCCc1cn2ccsc2n1
InChIInChI=1S/C12H19N3S/c1-10(2)13-6-4-3-5-11-9-15-7-8-16-12(15)14-11/h7-10,13H,3-6H2,1-2H3
InChIKeyXVJINXJBIADRSS-UHFFFAOYSA-N
XLogP2.72
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methyl-N-propylhexan-3-amine
CID 115334726
6-imidazo[2,1-b][1,3]thiazol-6-yl-2-methylhexan-3-amine
CID 115334701
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
6-imidazo[2,1-b][1,3]thiazol-6-yl-2,2-dimethyl-N-propylhexan-3-amine
CID 115334731
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
1-imidazo[2,1-b][1,3]thiazol-6-ylheptan-4-ol
CID 115334754
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pentan-3-amine
CID 78925544
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 83187591
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)-N-propan-2-ylacetamide
CID 115278968

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine (CID 115334708) is 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine is CC(C)NCCCCc1cn2ccsc2n1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine?
The InChIKey is XVJINXJBIADRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-10(2)13-6-4-3-5-11-9-15-7-8-16-12(15)14-11/h7-10,13H,3-6H2,1-2H3.
What are the key properties of 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine?
4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[2,1-b][1,3]thiazol-6-yl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 115334708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).