1,3-thiazole-4-carbonitrile

C4H2N2S — CID 15069

IUPAC1,3-thiazole-4-carbonitrile
SMILESN#Cc1cscn1
InChIInChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H
InChIKeyPNAFRZGWUVQUKH-UHFFFAOYSA-N
MW110.14 g/mol
LogP1.01
Rot. Bonds

About 1,3-thiazole-4-carbonitrile

1,3-thiazole-4-carbonitrile (PubChem CID 15069) has the molecular formula C4H2N2S and a molecular weight of 110.14 g/mol. Its IUPAC name is 1,3-thiazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-thiazole-4-carbonitrile
PubChem CID15069
Molecular FormulaC4H2N2S
Molecular Weight110.14 g/mol
Exact Mass109.99
IUPAC Name1,3-thiazole-4-carbonitrile
SMILESN#Cc1cscn1
InChIInChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H
InChIKeyPNAFRZGWUVQUKH-UHFFFAOYSA-N
XLogP1.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylthiazole
CID 12748
2-Methyl-1,3-thiazole-4-carbonitrile
CID 2799281
Thiazolium, 3,4-dimethyl-
CID 420767
2-(1,3-Thiazol-4-yl)acetonitrile
CID 2762565
4-(Trifluoromethyl)-1,3-thiazole
CID 21666095
4-Ethynylthiazole
CID 22238491
(1,3-Thiazol-4-yl)methanethiol
CID 39099693
2-Bromo-4-cyanothiazole
CID 45480439
4-Methylthiazol-hydrochlorid
CID 12348900
Dicyanothiazole
CID 129860939
4-(Fluoromethyl)-1,3-thiazole
CID 76551954
Thiazole, 4-(difluoromethyl)-
CID 91247666

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazole-4-carbonitrile?
The IUPAC name of 1,3-thiazole-4-carbonitrile (CID 15069) is 1,3-thiazole-4-carbonitrile.
What is the SMILES notation for 1,3-thiazole-4-carbonitrile?
The canonical SMILES for 1,3-thiazole-4-carbonitrile is N#Cc1cscn1.
What is the InChIKey of 1,3-thiazole-4-carbonitrile?
The InChIKey is PNAFRZGWUVQUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N2S/c5-1-4-2-7-3-6-4/h2-3H.
What are the key properties of 1,3-thiazole-4-carbonitrile?
1,3-thiazole-4-carbonitrile has a molecular weight of 110.14 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazole-4-carbonitrile is sourced from PubChem (CID 15069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).