1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one

C14H20N2OS — CID 103525907

IUPAC1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC2CCC2)c(C2CC2)c1N
InChIInChI=1S/C14H20N2OS/c1-2-10(17)13-12(15)11(8-6-7-8)14(18-13)16-9-4-3-5-9/h8-9,16H,2-7,15H2,1H3
InChIKeySPCZIKUANFVDHO-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.76
Rot. Bonds5

About 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one

1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one (PubChem CID 103525907) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
PubChem CID103525907
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(NC2CCC2)c(C2CC2)c1N
InChIInChI=1S/C14H20N2OS/c1-2-10(17)13-12(15)11(8-6-7-8)14(18-13)16-9-4-3-5-9/h8-9,16H,2-7,15H2,1H3
InChIKeySPCZIKUANFVDHO-UHFFFAOYSA-N
XLogP3.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-amino-5-(cyclopentylamino)-4-cyclopropylthiophen-2-yl]propan-1-one
CID 103423911
1-[3-amino-5-(cyclobutylamino)-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103525894
4-amino-2-(cycloheptylamino)-5-propanoylthiophene-3-carboxamide
CID 103427111
1-[3-amino-5-(cyclohexylamino)-4-methoxythiophen-2-yl]propan-1-one
CID 103423034
1-[3-amino-4-cyclopropyl-5-(2-methoxyethylamino)thiophen-2-yl]propan-1-one
CID 103423349
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
1-(3-amino-4-cyclopropyl-5-methylsulfanylthiophen-2-yl)propan-1-one
CID 103526642
3-amino-4-cyclopropyl-N-ethyl-5-(piperidin-4-ylamino)thiophene-2-carboxamide
CID 103525554
1-[3-amino-4-cyclopropyl-5-(4,4,4-trifluorobutylamino)thiophen-2-yl]propan-1-one
CID 103505948
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carboxamide
CID 103424714
ethyl 3-amino-4-cyclopropyl-5-(propan-2-ylamino)thiophene-2-carboxylate
CID 103423228

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one (CID 103525907) is 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one is CCC(=O)c1sc(NC2CCC2)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
The InChIKey is SPCZIKUANFVDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-2-10(17)13-12(15)11(8-6-7-8)14(18-13)16-9-4-3-5-9/h8-9,16H,2-7,15H2,1H3.
What are the key properties of 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one?
1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one has a molecular weight of 264.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(cyclobutylamino)-4-cyclopropylthiophen-2-yl]propan-1-one is sourced from PubChem (CID 103525907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).