1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine

C11H15N3S2 — CID 107779770

IUPAC1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(Sc2ncc[nH]2)C(C)N)s1
InChIInChI=1S/C11H15N3S2/c1-7-3-4-9(15-7)10(8(2)12)16-11-13-5-6-14-11/h3-6,8,10H,12H2,1-2H3,(H,13,14)
InChIKeyQKYWLYBULAQCPJ-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.96
Rot. Bonds4

About 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine

1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 107779770) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID107779770
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCc1ccc(C(Sc2ncc[nH]2)C(C)N)s1
InChIInChI=1S/C11H15N3S2/c1-7-3-4-9(15-7)10(8(2)12)16-11-13-5-6-14-11/h3-6,8,10H,12H2,1-2H3,(H,13,14)
InChIKeyQKYWLYBULAQCPJ-UHFFFAOYSA-N
XLogP2.96
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)propan-2-amine
CID 107779753
1-(5-bromothiophen-2-yl)-1-(1H-imidazol-2-ylsulfanyl)butan-2-amine
CID 114000660
5-[2-amino-1-(5-methylthiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63738336
1-(4-methylsulfonylphenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 63237953
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
2-(1H-imidazol-2-ylsulfanyl)-N-methyl-1-(4-methylphenyl)propan-1-amine
CID 107783907
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65038348
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 63695121
2-(1H-imidazol-2-ylsulfanyl)-3-methylbutanoic acid
CID 107778960
1-(5-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)sulfanylpropan-2-amine
CID 114000695
3-amino-2-(1H-imidazol-2-ylsulfanyl)-4,4-dimethylpentan-1-ol
CID 107783953
(1S,2R)-1-amino-1-(5-methylthiophen-2-yl)propan-2-ol
CID 130969879

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine (CID 107779770) is 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine is Cc1ccc(C(Sc2ncc[nH]2)C(C)N)s1.
What is the InChIKey of 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is QKYWLYBULAQCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c1-7-3-4-9(15-7)10(8(2)12)16-11-13-5-6-14-11/h3-6,8,10H,12H2,1-2H3,(H,13,14).
What are the key properties of 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine?
1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 253.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-ylsulfanyl)-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 107779770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).