5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole

C13H9ClN2S2 — CID 28709866

IUPAC5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
SMILESClCc1sc(-c2cccnc2)nc1-c1cccs1
InChIInChI=1S/C13H9ClN2S2/c14-7-11-12(10-4-2-6-17-10)16-13(18-11)9-3-1-5-15-8-9/h1-6,8H,7H2
InChIKeyCRBFFRRIRIMBSE-UHFFFAOYSA-N
MW292.82 g/mol
LogP4.67
Rot. Bonds3

About 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole

5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole (PubChem CID 28709866) has the molecular formula C13H9ClN2S2 and a molecular weight of 292.82 g/mol. Its IUPAC name is 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
PubChem CID28709866
Molecular FormulaC13H9ClN2S2
Molecular Weight292.82 g/mol
Exact Mass291.99
IUPAC Name5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole
SMILESClCc1sc(-c2cccnc2)nc1-c1cccs1
InChIInChI=1S/C13H9ClN2S2/c14-7-11-12(10-4-2-6-17-10)16-13(18-11)9-3-1-5-15-8-9/h1-6,8H,7H2
InChIKeyCRBFFRRIRIMBSE-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.82
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)methanamine
CID 28709445
5-(2-chloroethyl)-2,4-dithiophen-2-yl-1,3-thiazole
CID 28709881
N-[(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]aniline
CID 53494006
5-(chloromethyl)-2,4-diphenyl-1,3-thiazole
CID 28709890
2-(2,4-dipyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82069424
5-(2-chloroethyl)-4-phenyl-2-thiophen-2-yl-1,3-thiazole
CID 28709914
5-(chloromethyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 82081726
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
N-[4-(4-chlorophenyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]thiophene-2-carboxamide
CID 34115598
2-(3-pyridin-3-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062562
5-(2-chloroethyl)-2-(2-fluorophenyl)-4-thiophen-2-yl-1,3-thiazole
CID 28709886
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
The IUPAC name of 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole (CID 28709866) is 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
The canonical SMILES for 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole is ClCc1sc(-c2cccnc2)nc1-c1cccs1.
What is the InChIKey of 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
The InChIKey is CRBFFRRIRIMBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2S2/c14-7-11-12(10-4-2-6-17-10)16-13(18-11)9-3-1-5-15-8-9/h1-6,8H,7H2.
What are the key properties of 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole?
5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole has a molecular weight of 292.82 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazole is sourced from PubChem (CID 28709866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).