1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol

C14H14ClN3OS — CID 168639157

IUPAC1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol
SMILESOC(CCl)CNc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C14H14ClN3OS/c15-7-12(19)8-16-11-3-1-10(2-4-11)13-9-18-5-6-20-14(18)17-13/h1-6,9,12,16,19H,7-8H2
InChIKeyLWNDQGCEGIYYKH-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.07
Rot. Bonds5

About 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol

1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol (PubChem CID 168639157) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol
PubChem CID168639157
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol
SMILESOC(CCl)CNc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C14H14ClN3OS/c15-7-12(19)8-16-11-3-1-10(2-4-11)13-9-18-5-6-20-14(18)17-13/h1-6,9,12,16,19H,7-8H2
InChIKeyLWNDQGCEGIYYKH-UHFFFAOYSA-N
XLogP3.07
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
CID 62639517
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
1-bromo-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)methanesulfonamide
CID 83084144
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-propan-2-yloxybenzamide
CID 4877617
2-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpentanamide;hydrochloride
CID 119677653
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
2-hydroxy-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 37039072
2-acetamido-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
CID 42907324
4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
CID 46674582

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol (CID 168639157) is 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol is OC(CCl)CNc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol?
The InChIKey is LWNDQGCEGIYYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3OS/c15-7-12(19)8-16-11-3-1-10(2-4-11)13-9-18-5-6-20-14(18)17-13/h1-6,9,12,16,19H,7-8H2.
What are the key properties of 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol?
1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol has a molecular weight of 307.81 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)propan-2-ol is sourced from PubChem (CID 168639157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).