3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide

C10H17N3O2S — CID 103508211

IUPAC3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
SMILESCCC(COC)Nc1cc(N)c(C(N)=O)s1
InChIInChI=1S/C10H17N3O2S/c1-3-6(5-15-2)13-8-4-7(11)9(16-8)10(12)14/h4,6,13H,3,5,11H2,1-2H3,(H2,12,14)
InChIKeyHOJUTTTYRQEMQY-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds6

About 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide

3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide (PubChem CID 103508211) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
PubChem CID103508211
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
SMILESCCC(COC)Nc1cc(N)c(C(N)=O)s1
InChIInChI=1S/C10H17N3O2S/c1-3-6(5-15-2)13-8-4-7(11)9(16-8)10(12)14/h4,6,13H,3,5,11H2,1-2H3,(H2,12,14)
InChIKeyHOJUTTTYRQEMQY-UHFFFAOYSA-N
XLogP1.27
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424063
ethyl 3-amino-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424115
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129
3-amino-5-(1-cyclopropylethylamino)thiophene-2-carboxamide
CID 103427586
3-amino-5-(pentan-3-ylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103424021
1-[3-amino-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423434
methyl 3-amino-5-(ethylamino)thiophene-2-carboxylate
CID 103424518
1-[3-amino-5-(2-methylpentan-3-ylamino)thiophen-2-yl]ethanone
CID 103508445
methyl 4-amino-3-(1-methoxybutan-2-ylamino)benzoate
CID 82795645
3-amino-5-[2-[di(propan-2-yl)amino]ethylamino]thiophene-2-carboxamide
CID 103424880
3-amino-N-ethyl-5-(1-methoxybutan-2-ylamino)-4-methylsulfanylthiophene-2-carboxamide
CID 103508186
1-[3-amino-5-[1-(1H-pyrazol-4-yl)ethylamino]thiophen-2-yl]propan-1-one
CID 106218908

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide (CID 103508211) is 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide is CCC(COC)Nc1cc(N)c(C(N)=O)s1.
What is the InChIKey of 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide?
The InChIKey is HOJUTTTYRQEMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-3-6(5-15-2)13-8-4-7(11)9(16-8)10(12)14/h4,6,13H,3,5,11H2,1-2H3,(H2,12,14).
What are the key properties of 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide?
3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103508211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).