N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide

C9H10N2OS — CID 130748525

IUPACN-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
SMILESC#CC(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C9H10N2OS/c1-4-7(12)11-9(2,3)8-10-5-6-13-8/h1,5-6H,2-3H3,(H,11,12)
InChIKeyBDEFXPZJOFLEGX-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.13
Rot. Bonds2

About N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide

N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide (PubChem CID 130748525) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
PubChem CID130748525
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
SMILESC#CC(=O)NC(C)(C)c1nccs1
InChIInChI=1S/C9H10N2OS/c1-4-7(12)11-9(2,3)8-10-5-6-13-8/h1,5-6H,2-3H3,(H,11,12)
InChIKeyBDEFXPZJOFLEGX-UHFFFAOYSA-N
XLogP1.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
4-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]oxolane-3-carboxamide
CID 114130919
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
6-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
CID 103790286
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
CID 114131864
N-[2-(1,3-thiazol-2-yl)propan-2-yl]furan-2-carboxamide
CID 110470912
N-[2-(1,3-thiazol-2-yl)propan-2-yl]piperidine-3-carboxamide
CID 110471917
N-(1,3-thiazol-2-yl)prop-2-ynamide
CID 45121776

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide (CID 130748525) is N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide is C#CC(=O)NC(C)(C)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide?
The InChIKey is BDEFXPZJOFLEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-4-7(12)11-9(2,3)8-10-5-6-13-8/h1,5-6H,2-3H3,(H,11,12).
What are the key properties of N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide?
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide has a molecular weight of 194.26 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide is sourced from PubChem (CID 130748525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).