5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

C15H17N3OS2 — CID 79998077

IUPAC5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(C)C)cs2)sc1C#CCN
InChIInChI=1S/C15H17N3OS2/c1-9(2)11-8-20-15(17-11)18-14(19)13-7-10(3)12(21-13)5-4-6-16/h7-9H,6,16H2,1-3H3,(H,17,18,19)
InChIKeyHJVATTMROUMOIK-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.20
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide

5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 79998077) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID79998077
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(C)C)cs2)sc1C#CCN
InChIInChI=1S/C15H17N3OS2/c1-9(2)11-8-20-15(17-11)18-14(19)13-7-10(3)12(21-13)5-4-6-16/h7-9H,6,16H2,1-3H3,(H,17,18,19)
InChIKeyHJVATTMROUMOIK-UHFFFAOYSA-N
XLogP3.20
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-(3-aminoprop-1-ynyl)-4-methylthiophene-2-carboxamide
CID 106346971
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methylpentyl)thiophene-2-carboxamide
CID 79990142
5-(3-aminoprop-1-ynyl)-N-(dicyclopropylmethyl)-4-methylthiophene-2-carboxamide
CID 79990489
5-(3-aminoprop-1-ynyl)-N-(3,4-dichlorophenyl)-4-methylthiophene-2-carboxamide
CID 79976889
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79989819
5-(3-aminoprop-1-ynyl)-4-methyl-N-pyrazin-2-ylthiophene-2-carboxamide
CID 79990310
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methylsulfanylphenyl)thiophene-2-carboxamide
CID 107642846
5-(3-aminoprop-1-ynyl)-4-methyl-N-(2-methyl-3-pyridinyl)thiophene-2-carboxamide
CID 79990676
5-(3-aminoprop-1-ynyl)-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-carboxamide
CID 79989479
5-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-methylphenyl)-4-methylthiophene-2-carboxamide
CID 79977854
5-(3-aminoprop-1-ynyl)-N-(2,2-dicyclopropylethyl)-4-methylthiophene-2-carboxamide
CID 79998554
5-(3-aminoprop-1-ynyl)-N-(2-ethylphenyl)-4-methylthiophene-2-carboxamide
CID 79977855

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 79998077) is 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is Cc1cc(C(=O)Nc2nc(C(C)C)cs2)sc1C#CCN.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is HJVATTMROUMOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-9(2)11-8-20-15(17-11)18-14(19)13-7-10(3)12(21-13)5-4-6-16/h7-9H,6,16H2,1-3H3,(H,17,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 319.46 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-4-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79998077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).