N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine

C12H17N3S — CID 82902048

IUPACN-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cncn1C
InChIInChI=1S/C12H17N3S/c1-3-5-14-12(10-4-6-16-8-10)11-7-13-9-15(11)2/h4,6-9,12,14H,3,5H2,1-2H3
InChIKeyOOXYWHGAGYFPRR-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.57
Rot. Bonds5

About N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine

N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine (PubChem CID 82902048) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
PubChem CID82902048
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccsc1)c1cncn1C
InChIInChI=1S/C12H17N3S/c1-3-5-14-12(10-4-6-16-8-10)11-7-13-9-15(11)2/h4,6-9,12,14H,3,5H2,1-2H3
InChIKeyOOXYWHGAGYFPRR-UHFFFAOYSA-N
XLogP2.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyltriazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 114687092
N-[(3-methylimidazol-4-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 82902794
N-[(3-methylimidazol-4-yl)-quinolin-3-ylmethyl]propan-1-amine
CID 82887052
N-[(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 82887724
N-[2,3-dihydro-1-benzofuran-5-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 104542825
N-[3,4-dihydro-2H-pyran-6-yl-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 102648002
N-[(2-chloro-5-fluorophenyl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 105395429
N-[(5-methylthiophen-3-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 65104445
N-[(3-bromo-2,6-difluorophenyl)-(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 106942976
N-[thieno[3,2-b]pyridin-6-yl(thiophen-3-yl)methyl]propan-1-amine
CID 81143136
N-[2,2-difluoro-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 80605539
N-[(3-chlorothiophen-2-yl)-thiophen-3-ylmethyl]propan-1-amine
CID 80529345

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine (CID 82902048) is N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine is CCCNC(c1ccsc1)c1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
The InChIKey is OOXYWHGAGYFPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-5-14-12(10-4-6-16-8-10)11-7-13-9-15(11)2/h4,6-9,12,14H,3,5H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine?
N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine has a molecular weight of 235.36 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)-thiophen-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 82902048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).