1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

C12H16ClN3S — CID 103407559

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1csc(C(N)CCc2nccn2C)c1Cl
InChIInChI=1S/C12H16ClN3S/c1-8-7-17-12(11(8)13)9(14)3-4-10-15-5-6-16(10)2/h5-7,9H,3-4,14H2,1-2H3
InChIKeyBIJNDPZNVHQDFP-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.08
Rot. Bonds4

About 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine

1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 103407559) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID103407559
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCc1csc(C(N)CCc2nccn2C)c1Cl
InChIInChI=1S/C12H16ClN3S/c1-8-7-17-12(11(8)13)9(14)3-4-10-15-5-6-16(10)2/h5-7,9H,3-4,14H2,1-2H3
InChIKeyBIJNDPZNVHQDFP-UHFFFAOYSA-N
XLogP3.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-methylthiophen-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103407554
3-(1-methylimidazol-2-yl)-1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 105187648
1-(4-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529915
3-(1-methylimidazol-2-yl)-1-phenylpropan-1-amine
CID 64503955
1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 103407961
3-(1-methylimidazol-2-yl)-1-(thiadiazol-4-yl)propan-1-amine
CID 105187627
1-(2-fluoro-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049790
1-(3-fluoro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529940
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
1-(3-chloro-4,5-dimethoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530018

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine (CID 103407559) is 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is Cc1csc(C(N)CCc2nccn2C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is BIJNDPZNVHQDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-8-7-17-12(11(8)13)9(14)3-4-10-15-5-6-16(10)2/h5-7,9H,3-4,14H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 269.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 103407559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).