2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine

C12H11ClN4S — CID 43782424

IUPAC2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
SMILESCc1nc2sccn2c1CNc1cccnc1Cl
InChIInChI=1S/C12H11ClN4S/c1-8-10(17-5-6-18-12(17)16-8)7-15-9-3-2-4-14-11(9)13/h2-6,15H,7H2,1H3
InChIKeyKGOZJIYSEDWFKR-UHFFFAOYSA-N
MW278.77 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine

2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine (PubChem CID 43782424) has the molecular formula C12H11ClN4S and a molecular weight of 278.77 g/mol. Its IUPAC name is 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
PubChem CID43782424
Molecular FormulaC12H11ClN4S
Molecular Weight278.77 g/mol
Exact Mass278.04
IUPAC Name2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine
SMILESCc1nc2sccn2c1CNc1cccnc1Cl
InChIInChI=1S/C12H11ClN4S/c1-8-10(17-5-6-18-12(17)16-8)7-15-9-3-2-4-14-11(9)13/h2-6,15H,7H2,1H3
InChIKeyKGOZJIYSEDWFKR-UHFFFAOYSA-N
XLogP3.36
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43774905
2-(methoxymethyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43779784
4-chloro-2-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107632054
2-chloro-5-fluoro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 107527401
1,3-dimethyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyrazol-4-amine
CID 104954480
2-[2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]phenyl]acetamide
CID 43789624
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]naphthalen-2-amine
CID 43780278
3-iodo-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 43773324
2-methoxy-4-methyl-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]aniline
CID 60931230
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106834214
1-(2-chlorophenyl)-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propan-2-amine
CID 43779699
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine (CID 43782424) is 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine is Cc1nc2sccn2c1CNc1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine?
The InChIKey is KGOZJIYSEDWFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S/c1-8-10(17-5-6-18-12(17)16-8)7-15-9-3-2-4-14-11(9)13/h2-6,15H,7H2,1H3.
What are the key properties of 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine?
2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine has a molecular weight of 278.77 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 43782424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).