2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide

C10H13N3OS — CID 103718140

IUPAC2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
SMILESCC(C#N)C(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C10H13N3OS/c1-7(6-11)8(14)13-10(2,3)9-12-4-5-15-9/h4-5,7H,1-3H3,(H,13,14)
InChIKeyBVQVXVFVIDPMEP-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.65
Rot. Bonds3

About 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide

2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide (PubChem CID 103718140) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
PubChem CID103718140
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
SMILESCC(C#N)C(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C10H13N3OS/c1-7(6-11)8(14)13-10(2,3)9-12-4-5-15-9/h4-5,7H,1-3H3,(H,13,14)
InChIKeyBVQVXVFVIDPMEP-UHFFFAOYSA-N
XLogP1.65
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxane-4-carboxamide
CID 103845803
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
1,1-difluoro-2-(1,3-thiazol-2-yl)propan-2-ol
CID 80605598
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide?
The IUPAC name of 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide (CID 103718140) is 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide.
What is the SMILES notation for 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide?
The canonical SMILES for 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide is CC(C#N)C(=O)NC(C)(C)c1nccs1.
What is the InChIKey of 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide?
The InChIKey is BVQVXVFVIDPMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(6-11)8(14)13-10(2,3)9-12-4-5-15-9/h4-5,7H,1-3H3,(H,13,14).
What are the key properties of 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide?
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide has a molecular weight of 223.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide is sourced from PubChem (CID 103718140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).