5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide

C16H18N2OS2 — CID 79691515

IUPAC5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2csc(C#CCN)c2)c(C)s1
InChIInChI=1S/C16H18N2OS2/c1-10-7-15(12(3)21-10)11(2)18-16(19)13-8-14(20-9-13)5-4-6-17/h7-9,11H,6,17H2,1-3H3,(H,18,19)
InChIKeyXSCSZWKYPQBUQN-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.23
Rot. Bonds3

About 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide (PubChem CID 79691515) has the molecular formula C16H18N2OS2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
PubChem CID79691515
Molecular FormulaC16H18N2OS2
Molecular Weight318.47 g/mol
Exact Mass318.09
IUPAC Name5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide
SMILESCc1cc(C(C)NC(=O)c2csc(C#CCN)c2)c(C)s1
InChIInChI=1S/C16H18N2OS2/c1-10-7-15(12(3)21-10)11(2)18-16(19)13-8-14(20-9-13)5-4-6-17/h7-9,11H,6,17H2,1-3H3,(H,18,19)
InChIKeyXSCSZWKYPQBUQN-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 79684443
5-(3-aminoprop-1-ynyl)-N-[1-(furan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696391
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-4-ylethyl)thiophene-3-carboxamide
CID 79696254
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
5-(3-aminoprop-1-ynyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]thiophene-3-carboxamide
CID 79691917
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
CID 79696529
5-(3-aminoprop-1-ynyl)-N-(2-methylpropyl)thiophene-3-carboxamide
CID 79696864
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
5-(3-aminoprop-1-ynyl)-N-hexan-3-ylthiophene-3-carboxamide
CID 79683789
N-[1-(2-chlorophenyl)ethyl]-5-(3-hydroxyprop-1-ynyl)thiophene-3-carboxamide
CID 79690067
5-(3-aminoprop-1-ynyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-3-carboxamide
CID 79696596
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide (CID 79691515) is 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide is Cc1cc(C(C)NC(=O)c2csc(C#CCN)c2)c(C)s1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide?
The InChIKey is XSCSZWKYPQBUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS2/c1-10-7-15(12(3)21-10)11(2)18-16(19)13-8-14(20-9-13)5-4-6-17/h7-9,11H,6,17H2,1-3H3,(H,18,19).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 79691515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).