3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide

C14H22N4OS — CID 103427442

IUPAC3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
SMILESCN1CCC(Nc2cc(N)c(C(=O)NC3CC3)s2)CC1
InChIInChI=1S/C14H22N4OS/c1-18-6-4-10(5-7-18)16-12-8-11(15)13(20-12)14(19)17-9-2-3-9/h8-10,16H,2-7,15H2,1H3,(H,17,19)
InChIKeyODONKTUFPAVXJG-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.73
Rot. Bonds4

About 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide

3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide (PubChem CID 103427442) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
PubChem CID103427442
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide
SMILESCN1CCC(Nc2cc(N)c(C(=O)NC3CC3)s2)CC1
InChIInChI=1S/C14H22N4OS/c1-18-6-4-10(5-7-18)16-12-8-11(15)13(20-12)14(19)17-9-2-3-9/h8-10,16H,2-7,15H2,1H3,(H,17,19)
InChIKeyODONKTUFPAVXJG-UHFFFAOYSA-N
XLogP1.73
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-5-(methylamino)thiophene-2-carboxamide
CID 103424255
4-amino-2-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 116669844
3-amino-N-cyclopropyl-5-(2-methylsulfonylethylamino)thiophene-2-carboxamide
CID 103432236
1-[3-amino-5-[(4-methylcyclohexyl)amino]thiophen-2-yl]ethanone
CID 103426543
3-amino-N-cyclopropyl-5-(3-methylbut-2-enylamino)thiophene-2-carboxamide
CID 106199168
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3-amino-N-cyclopropyl-5-(4-propan-2-yloxybutylamino)thiophene-2-carboxamide
CID 106017402
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide (CID 103427442) is 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide is CN1CCC(Nc2cc(N)c(C(=O)NC3CC3)s2)CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
The InChIKey is ODONKTUFPAVXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-18-6-4-10(5-7-18)16-12-8-11(15)13(20-12)14(19)17-9-2-3-9/h8-10,16H,2-7,15H2,1H3,(H,17,19).
What are the key properties of 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide?
3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[(1-methylpiperidin-4-yl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103427442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).