4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide

C13H14ClN3O2S2 — CID 2491127

IUPAC4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide
SMILESCC(C)Nc1sc(C(=O)c2ccc(Cl)s2)c(N)c1C(N)=O
InChIInChI=1S/C13H14ClN3O2S2/c1-5(2)17-13-8(12(16)19)9(15)11(21-13)10(18)6-3-4-7(14)20-6/h3-5,17H,15H2,1-2H3,(H2,16,19)
InChIKeyLBPSWYWGZMHCAU-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.20
Rot. Bonds5

About 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide

4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide (PubChem CID 2491127) has the molecular formula C13H14ClN3O2S2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide
PubChem CID2491127
Molecular FormulaC13H14ClN3O2S2
Molecular Weight343.86 g/mol
Exact Mass343.02
IUPAC Name4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide
SMILESCC(C)Nc1sc(C(=O)c2ccc(Cl)s2)c(N)c1C(N)=O
InChIInChI=1S/C13H14ClN3O2S2/c1-5(2)17-13-8(12(16)19)9(15)11(21-13)10(18)6-3-4-7(14)20-6/h3-5,17H,15H2,1-2H3,(H2,16,19)
InChIKeyLBPSWYWGZMHCAU-UHFFFAOYSA-N
XLogP3.20
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide (CID 2491127) is 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide is CC(C)Nc1sc(C(=O)c2ccc(Cl)s2)c(N)c1C(N)=O.
What is the InChIKey of 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide?
The InChIKey is LBPSWYWGZMHCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S2/c1-5(2)17-13-8(12(16)19)9(15)11(21-13)10(18)6-3-4-7(14)20-6/h3-5,17H,15H2,1-2H3,(H2,16,19).
What are the key properties of 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide?
4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide has a molecular weight of 343.86 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide is sourced from PubChem (CID 2491127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).