3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide

C14H21N3OS — CID 103526109

IUPAC3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCC1CC1Nc1sc(C(=O)N(C)C)c(N)c1C1CC1
InChIInChI=1S/C14H21N3OS/c1-7-6-9(7)16-13-10(8-4-5-8)11(15)12(19-13)14(18)17(2)3/h7-9,16H,4-6,15H2,1-3H3
InChIKeyIEMGBKCQMBXBGA-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.73
Rot. Bonds4

About 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (PubChem CID 103526109) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
PubChem CID103526109
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCC1CC1Nc1sc(C(=O)N(C)C)c(N)c1C1CC1
InChIInChI=1S/C14H21N3OS/c1-7-6-9(7)16-13-10(8-4-5-8)11(15)12(19-13)14(18)17(2)3/h7-9,16H,4-6,15H2,1-3H3
InChIKeyIEMGBKCQMBXBGA-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (CID 103526109) is 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is CC1CC1Nc1sc(C(=O)N(C)C)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The InChIKey is IEMGBKCQMBXBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-7-6-9(7)16-13-10(8-4-5-8)11(15)12(19-13)14(18)17(2)3/h7-9,16H,4-6,15H2,1-3H3.
What are the key properties of 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103526109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).