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

C12H17N3OS — CID 103526031

IUPAC3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCC1CC1Nc1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C12H17N3OS/c1-5-4-7(5)15-12-8(6-2-3-6)9(13)10(17-12)11(14)16/h5-7,15H,2-4,13H2,1H3,(H2,14,16)
InChIKeyCUZZZRXBNQLOOI-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.13
Rot. Bonds4

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

3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (PubChem CID 103526031) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
PubChem CID103526031
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
SMILESCC1CC1Nc1sc(C(N)=O)c(N)c1C1CC1
InChIInChI=1S/C12H17N3OS/c1-5-4-7(5)15-12-8(6-2-3-6)9(13)10(17-12)11(14)16/h5-7,15H,2-4,13H2,1H3,(H2,14,16)
InChIKeyCUZZZRXBNQLOOI-UHFFFAOYSA-N
XLogP2.13
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-cyclopropyl-N,N-dimethyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide
CID 103526109
3-amino-4-cyclopropyl-5-[(2-methoxycyclopentyl)amino]thiophene-2-carboxamide
CID 103509949
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carbonitrile
CID 103526126
dimethyl 3-amino-5-[(2-methylcyclopropyl)amino]thiophene-2,4-dicarboxylate
CID 103526057
3-amino-4-cyclopropyl-5-[2-(diethylamino)ethylamino]thiophene-2-carboxamide
CID 103424766
1-[3-amino-4-cyclopropyl-5-(cyclopropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103423663
3-amino-4-cyclopropyl-5-(cyclopropylamino)-N,N-dimethylthiophene-2-carboxamide
CID 103423662
3-amino-4-cyclopropyl-5-(1-phenylethylamino)thiophene-2-carboxamide
CID 103424836
3-amino-4-cyclopropyl-5-(2,2,3,3-tetrafluoropropylamino)thiophene-2-carboxamide
CID 106296564
1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103525907
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426267

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide (CID 103526031) is 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is CC1CC1Nc1sc(C(N)=O)c(N)c1C1CC1.
What is the InChIKey of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
The InChIKey is CUZZZRXBNQLOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-5-4-7(5)15-12-8(6-2-3-6)9(13)10(17-12)11(14)16/h5-7,15H,2-4,13H2,1H3,(H2,14,16).
What are the key properties of 3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-5-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.13, 4 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-[(2-methylcyclopropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103526031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).