4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine

C10H14ClN3S — CID 83187591

IUPAC4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
SMILESCC(CCCl)NCc1cn2ccsc2n1
InChIInChI=1S/C10H14ClN3S/c1-8(2-3-11)12-6-9-7-14-4-5-15-10(14)13-9/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyYQIRBJQVNYFRJR-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.50
Rot. Bonds5

About 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine

4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine (PubChem CID 83187591) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
PubChem CID83187591
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
SMILESCC(CCCl)NCc1cn2ccsc2n1
InChIInChI=1S/C10H14ClN3S/c1-8(2-3-11)12-6-9-7-14-4-5-15-10(14)13-9/h4-5,7-8,12H,2-3,6H2,1H3
InChIKeyYQIRBJQVNYFRJR-UHFFFAOYSA-N
XLogP2.50
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine
CID 81333805
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-methylbutan-2-amine
CID 81334513
1-cyclopropyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)propan-2-amine
CID 81333671
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)-3-methoxybutan-2-amine
CID 115713221
(1S)-1-(4-chlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 115331754
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylpropan-1-amine
CID 115331414
1-(2,4-dichlorophenyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)ethanamine
CID 78918734
6-(chloromethyl)imidazo[2,1-b][1,3]thiazole
CID 18804066
(1S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 115331752
(1R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-pyridin-2-ylethanamine
CID 115331781
4-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)butan-2-ol
CID 115331674

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine?
The IUPAC name of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine (CID 83187591) is 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine.
What is the SMILES notation for 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine?
The canonical SMILES for 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine is CC(CCCl)NCc1cn2ccsc2n1.
What is the InChIKey of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine?
The InChIKey is YQIRBJQVNYFRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c1-8(2-3-11)12-6-9-7-14-4-5-15-10(14)13-9/h4-5,7-8,12H,2-3,6H2,1H3.
What are the key properties of 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine?
4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine has a molecular weight of 243.76 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)butan-2-amine is sourced from PubChem (CID 83187591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).