3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide

C14H21N3OS — CID 103423277

IUPAC3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NC(C)C)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS/c1-4-7-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-8(2)3/h4,8-9,17H,1,5-7,15H2,2-3H3,(H,16,18)
InChIKeyLEJXYUOTCLPARW-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.94
Rot. Bonds6

About 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide

3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide (PubChem CID 103423277) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
PubChem CID103423277
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide
SMILESC=CCNC(=O)c1sc(NC(C)C)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS/c1-4-7-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-8(2)3/h4,8-9,17H,1,5-7,15H2,2-3H3,(H,16,18)
InChIKeyLEJXYUOTCLPARW-UHFFFAOYSA-N
XLogP2.94
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-N-methyl-5-(propan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423232
3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510047
1-[3-amino-4-cyclopropyl-5-(prop-2-enylamino)thiophen-2-yl]ethanone
CID 103510024
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228
3-amino-5-(1-cyclopropylethylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103427603
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103423732
3-amino-5-(cyclopropylmethylamino)-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424670
methyl 4-amino-2-(cyclopropylmethylamino)-5-(prop-2-enylcarbamoyl)thiophene-3-carboxylate
CID 103424651
3-amino-5-(butan-2-ylamino)-2-N-prop-2-enylthiophene-2,4-dicarboxamide
CID 103423539
3-amino-5-(cyclohexylamino)-4-methylsulfanyl-N-prop-2-enylthiophene-2-carboxamide
CID 103423047
3-amino-5-(cyclobutylamino)-4-methylsulfonyl-N-prop-2-enylthiophene-2-carboxamide
CID 103525965
3-amino-5-(cyclopropylmethylamino)-4-methoxy-N-prop-2-enylthiophene-2-carboxamide
CID 103424588

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide (CID 103423277) is 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide is C=CCNC(=O)c1sc(NC(C)C)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide?
The InChIKey is LEJXYUOTCLPARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-4-7-16-13(18)12-11(15)10(9-5-6-9)14(19-12)17-8(2)3/h4,8-9,17H,1,5-7,15H2,2-3H3,(H,16,18).
What are the key properties of 3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.94, 6 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-(propan-2-ylamino)-N-prop-2-enylthiophene-2-carboxamide is sourced from PubChem (CID 103423277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).