1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile

C14H13N3S — CID 116886959

IUPAC1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
SMILESCc1nc(-c2cccnc2)sc1C1(C#N)CCC1
InChIInChI=1S/C14H13N3S/c1-10-12(14(9-15)5-3-6-14)18-13(17-10)11-4-2-7-16-8-11/h2,4,7-8H,3,5-6H2,1H3
InChIKeyJWGKSXRXLPJYKD-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.46
Rot. Bonds2

About 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile

1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile (PubChem CID 116886959) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
PubChem CID116886959
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
SMILESCc1nc(-c2cccnc2)sc1C1(C#N)CCC1
InChIInChI=1S/C14H13N3S/c1-10-12(14(9-15)5-3-6-14)18-13(17-10)11-4-2-7-16-8-11/h2,4,7-8H,3,5-6H2,1H3
InChIKeyJWGKSXRXLPJYKD-UHFFFAOYSA-N
XLogP3.46
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclobutane-1-carbonitrile
CID 116886965
N-methyl-1-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclopropyl]methanamine
CID 116886932
1-[2-(3-bromophenyl)-4-methyl-1,3-thiazol-5-yl]cyclopropane-1-carbonitrile
CID 116886817
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile
CID 116886945
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 127050732
N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
4-methyl-5-pyridin-3-yl-1,3-thiazole-2-carbonitrile
CID 165447959
(1-methylcyclohexyl) N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580446

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile (CID 116886959) is 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile is Cc1nc(-c2cccnc2)sc1C1(C#N)CCC1.
What is the InChIKey of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
The InChIKey is JWGKSXRXLPJYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-12(14(9-15)5-3-6-14)18-13(17-10)11-4-2-7-16-8-11/h2,4,7-8H,3,5-6H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile?
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile has a molecular weight of 255.35 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116886959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).