3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide

C13H21N3OS — CID 103423180

IUPAC3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
SMILESCCCNc1sc(C(=O)NCC)c(N)c1C1CC1
InChIInChI=1S/C13H21N3OS/c1-3-7-16-13-9(8-5-6-8)10(14)11(18-13)12(17)15-4-2/h8,16H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyIQUZQPVCMPSYJH-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.78
Rot. Bonds6

About 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide

3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide (PubChem CID 103423180) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
PubChem CID103423180
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
SMILESCCCNc1sc(C(=O)NCC)c(N)c1C1CC1
InChIInChI=1S/C13H21N3OS/c1-3-7-16-13-9(8-5-6-8)10(14)11(18-13)12(17)15-4-2/h8,16H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyIQUZQPVCMPSYJH-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510047
3-amino-4-cyclopropyl-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525554
methyl 3-amino-4-cyclopropyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420077
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
ethyl 3-amino-4-cyclopropyl-5-(pentylamino)thiophene-2-carboxylate
CID 103425371
3-amino-N,4-dicyclopropyl-5-(2-ethoxyethylamino)thiophene-2-carboxamide
CID 103428671
[3-amino-4-cyclopropyl-5-(hexylamino)thiophen-2-yl]-cyclopropylmethanone
CID 103420087
1-[3-amino-4-cyclopropyl-5-(3,3,3-trifluoropropylamino)thiophen-2-yl]ethanone
CID 103526353
3-amino-4-cyclopropyl-5-[2-(diethylamino)ethylamino]thiophene-2-carboxamide
CID 103424766
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
3-amino-N,4-dicyclopropyl-5-(2-methylpropylamino)thiophene-2-carboxamide
CID 103423879
3-amino-4-cyclopropyl-N-methyl-5-(2-propan-2-yloxyethylamino)thiophene-2-carboxamide
CID 103506429

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide (CID 103423180) is 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide is CCCNc1sc(C(=O)NCC)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide?
The InChIKey is IQUZQPVCMPSYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-7-16-13-9(8-5-6-8)10(14)11(18-13)12(17)15-4-2/h8,16H,3-7,14H2,1-2H3,(H,15,17).
What are the key properties of 3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.78, 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-N-ethyl-5-(propylamino)thiophene-2-carboxamide is sourced from PubChem (CID 103423180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).