4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile

C14H15N3OS2 — CID 155566733

IUPAC4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
SMILESCc1ccc(C(=O)c2sc(NC(C)C)c(C#N)c2N)s1
InChIInChI=1S/C14H15N3OS2/c1-7(2)17-14-9(6-15)11(16)13(20-14)12(18)10-5-4-8(3)19-10/h4-5,7,17H,16H2,1-3H3
InChIKeyMLAWPRPQQXNWHU-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.62
Rot. Bonds4

About 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile

4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile (PubChem CID 155566733) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
PubChem CID155566733
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
SMILESCc1ccc(C(=O)c2sc(NC(C)C)c(C#N)c2N)s1
InChIInChI=1S/C14H15N3OS2/c1-7(2)17-14-9(6-15)11(16)13(20-14)12(18)10-5-4-8(3)19-10/h4-5,7,17H,16H2,1-3H3
InChIKeyMLAWPRPQQXNWHU-UHFFFAOYSA-N
XLogP3.62
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-5-(cyclopropylcarbonyl)-2-(prop-2-en-1-ylamino)thiophene-3-carbonitrile
CID 658011
4-Amino-5-[(4-methylphenyl)-oxomethyl]-2-(prop-2-enylamino)-3-thiophenecarbonitrile
CID 1841174
2-(Allylamino)-4-amino-5-[(5-bromo-2-thienyl)carbonyl]-3-thiophenecarbonitrile
CID 1893291
2-Allylamino-4-amino-5-benzoyl-thiophene-3-carbonitrile
CID 1963940
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carboxamide
CID 2491127
4-Amino-5-[(5-chloro-2-thienyl)carbonyl]-2-(isopropylamino)-3-thiophenecarbonitrile
CID 47001335
4-Amino-2-(3-aminopropylamino)-5-(5-bromothiophene-2-carbonyl)thiophene-3-carbonitrile
CID 155510507
4-Amino-5-(5-iodothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155521164
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(ethylamino)thiophene-3-carbonitrile
CID 155522409
4-Amino-5-(5-bromothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155522952
4-Amino-5-(4-bromothiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile
CID 155523587
4-Amino-5-(5-chlorothiophene-2-carbonyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile
CID 155531664

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile (CID 155566733) is 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile is Cc1ccc(C(=O)c2sc(NC(C)C)c(C#N)c2N)s1.
What is the InChIKey of 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
The InChIKey is MLAWPRPQQXNWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-7(2)17-14-9(6-15)11(16)13(20-14)12(18)10-5-4-8(3)19-10/h4-5,7,17H,16H2,1-3H3.
What are the key properties of 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile?
4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile has a molecular weight of 305.43 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-methylthiophene-2-carbonyl)-2-(propan-2-ylamino)thiophene-3-carbonitrile is sourced from PubChem (CID 155566733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).