N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide

C9H10N2OS — CID 104919668

IUPACN-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
SMILESC#CC(C)NC(=O)c1cnc(C)s1
InChIInChI=1S/C9H10N2OS/c1-4-6(2)11-9(12)8-5-10-7(3)13-8/h1,5-6H,2-3H3,(H,11,12)
InChIKeySEBYGXDWTVPFMT-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.20
Rot. Bonds2

About N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide

N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104919668) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID104919668
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC NameN-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide
SMILESC#CC(C)NC(=O)c1cnc(C)s1
InChIInChI=1S/C9H10N2OS/c1-4-6(2)11-9(12)8-5-10-7(3)13-8/h1,5-6H,2-3H3,(H,11,12)
InChIKeySEBYGXDWTVPFMT-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
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

N,2-ditert-butyl-1,3-thiazole-5-carboxamide
CID 47398500
2-bromo-N-methyl-1,3-thiazole-5-carboxamide
CID 20328461
N,2-dimethyl-1,3-thiazole-5-carboxamide
CID 47002207
N-(2-acetamidoethyl)-2-tert-butyl-1,3-thiazole-5-carboxamide
CID 47398670
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-ethyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 49365409
2-tert-butyl-N-[2-(diethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 53516078
2-methyl-N-(2-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 53537720
2-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 53537744
2-(Aminomethyl)-1,3-thiazole-5-carboxamide hydrochloride
CID 138991822
N-(2-ethylsulfonylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 60231579
2-(Aminomethyl)-1,3-thiazole-5-carboxamide
CID 23160076

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide (CID 104919668) is N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide is C#CC(C)NC(=O)c1cnc(C)s1.
What is the InChIKey of N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is SEBYGXDWTVPFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-4-6(2)11-9(12)8-5-10-7(3)13-8/h1,5-6H,2-3H3,(H,11,12).
What are the key properties of N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide?
N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 194.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104919668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).