5-butyl-2-pyridin-3-yl-1,3-thiazole

C12H14N2S — CID 67548098

IUPAC5-butyl-2-pyridin-3-yl-1,3-thiazole
SMILESCCCCc1cnc(-c2cccnc2)s1
InChIInChI=1S/C12H14N2S/c1-2-3-6-11-9-14-12(15-11)10-5-4-7-13-8-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyWSLQNUNLIVUSQU-UHFFFAOYSA-N
MW218.33 g/mol
LogP3.55
Rot. Bonds4

About 5-butyl-2-pyridin-3-yl-1,3-thiazole

5-butyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 67548098) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is 5-butyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-butyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID67548098
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name5-butyl-2-pyridin-3-yl-1,3-thiazole
SMILESCCCCc1cnc(-c2cccnc2)s1
InChIInChI=1S/C12H14N2S/c1-2-3-6-11-9-14-12(15-11)10-5-4-7-13-8-10/h4-5,7-9H,2-3,6H2,1H3
InChIKeyWSLQNUNLIVUSQU-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-2-phenyl-1,3-thiazole
CID 67548106
4-(2-pyridin-3-yl-1,3-thiazol-5-yl)butan-1-amine
CID 11557701
5-(bromomethyl)-2-pyridin-3-yl-1,3-thiazole
CID 82422643
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetaldehyde
CID 115091325
2-(2-pyridin-3-yl-1,3-thiazol-5-yl)acetic acid
CID 82286214
3-(5-butylthiophen-3-yl)pyridine
CID 66814016
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
N-[(2R)-3-methylbutan-2-yl]-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 97252891
5-chloro-2-pyridin-3-yl-1,3-thiazole
CID 117259093
3-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-1-amine
CID 115092126
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
N-methyl-1-pyridin-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 75505274

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-butyl-2-pyridin-3-yl-1,3-thiazole (CID 67548098) is 5-butyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-butyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-butyl-2-pyridin-3-yl-1,3-thiazole is CCCCc1cnc(-c2cccnc2)s1.
What is the InChIKey of 5-butyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is WSLQNUNLIVUSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2S/c1-2-3-6-11-9-14-12(15-11)10-5-4-7-13-8-10/h4-5,7-9H,2-3,6H2,1H3.
What are the key properties of 5-butyl-2-pyridin-3-yl-1,3-thiazole?
5-butyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 218.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 67548098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).