3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide

C16H19N3OS — CID 103424836

IUPAC3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
SMILESCC(Nc1sc(C(N)=O)c(N)c1C1CC1)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-9(10-5-3-2-4-6-10)19-16-12(11-7-8-11)13(17)14(21-16)15(18)20/h2-6,9,11,19H,7-8,17H2,1H3,(H2,18,20)
InChIKeyGXGLIPVCVIMFAK-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.48
Rot. Bonds5

About 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide (PubChem CID 103424836) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
PubChem CID103424836
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
SMILESCC(Nc1sc(C(N)=O)c(N)c1C1CC1)c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-9(10-5-3-2-4-6-10)19-16-12(11-7-8-11)13(17)14(21-16)15(18)20/h2-6,9,11,19H,7-8,17H2,1H3,(H2,18,20)
InChIKeyGXGLIPVCVIMFAK-UHFFFAOYSA-N
XLogP3.48
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
2-amino-3-(1-phenylethylamino)benzamide
CID 113332401
3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide
CID 103509949
1-[3-amino-4-cyclopropyl-5-(3-methylbutylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103425616
3-amino-5-(1-cyclopropylethylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103427551
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
4-amino-5-cyclopropyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 107863851
2-(1-cyclopropylethylamino)-2-phenylacetamide
CID 75511506
3-amino-4-(1-phenylethylamino)benzamide
CID 43448333
3-amino-4-[[(1R)-1-phenylethyl]amino]benzamide
CID 93050367
ethyl 3-amino-4-cyclopropyl-5-[2-(dimethylamino)propylamino]thiophene-2-carboxylate
CID 103506893
5-amino-N-(1-phenylethyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515473

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide (CID 103424836) is 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide is CC(Nc1sc(C(N)=O)c(N)c1C1CC1)c1ccccc1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide?
The InChIKey is GXGLIPVCVIMFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-9(10-5-3-2-4-6-10)19-16-12(11-7-8-11)13(17)14(21-16)15(18)20/h2-6,9,11,19H,7-8,17H2,1H3,(H2,18,20).
What are the key properties of 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103424836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).