3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide

C10H17N3OS — CID 103424063

IUPAC3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
SMILESCCC(CC)Nc1cc(N)c(C(N)=O)s1
InChIInChI=1S/C10H17N3OS/c1-3-6(4-2)13-8-5-7(11)9(15-8)10(12)14/h5-6,13H,3-4,11H2,1-2H3,(H2,12,14)
InChIKeyWNENSGQYFLVPTF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.03
Rot. Bonds5

About 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide

3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide (PubChem CID 103424063) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
PubChem CID103424063
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
SMILESCCC(CC)Nc1cc(N)c(C(N)=O)s1
InChIInChI=1S/C10H17N3OS/c1-3-6(4-2)13-8-5-7(11)9(15-8)10(12)14/h5-6,13H,3-4,11H2,1-2H3,(H2,12,14)
InChIKeyWNENSGQYFLVPTF-UHFFFAOYSA-N
XLogP2.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
CID 103508211
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
3-amino-5-(1-cyclopropylethylamino)thiophene-2-carboxamide
CID 103427586
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
CID 106218908
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
3-amino-5-(oxolan-3-ylmethylamino)thiophene-2-carboxamide
CID 103507144
3-amino-5-(2-pyrazol-1-ylethylamino)thiophene-2-carboxamide
CID 103507981

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide (CID 103424063) is 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide is CCC(CC)Nc1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide?
The InChIKey is WNENSGQYFLVPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-6(4-2)13-8-5-7(11)9(15-8)10(12)14/h5-6,13H,3-4,11H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide?
3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide has a molecular weight of 227.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103424063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).