2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide

C8H9N3OS — CID 121308341

IUPAC2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(C#N)nc1C(=O)N(C)C
InChIInChI=1S/C8H9N3OS/c1-5-7(8(12)11(2)3)10-6(4-9)13-5/h1-3H3
InChIKeyYSIPVZFAXNCXFW-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.02
Rot. Bonds1

About 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide

2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide (PubChem CID 121308341) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide
PubChem CID121308341
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(C#N)nc1C(=O)N(C)C
InChIInChI=1S/C8H9N3OS/c1-5-7(8(12)11(2)3)10-6(4-9)13-5/h1-3H3
InChIKeyYSIPVZFAXNCXFW-UHFFFAOYSA-N
XLogP1.02
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide (CID 121308341) is 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide is Cc1sc(C#N)nc1C(=O)N(C)C.
What is the InChIKey of 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is YSIPVZFAXNCXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-7(8(12)11(2)3)10-6(4-9)13-5/h1-3H3.
What are the key properties of 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide?
2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 195.25 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N,5-trimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 121308341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).