N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine

C10H13N3S — CID 107975644

IUPACN-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cn(C)cn1
InChIInChI=1S/C10H13N3S/c1-11-10(8-3-4-14-6-8)9-5-13(2)7-12-9/h3-7,10-11H,1-2H3
InChIKeyKPZKFCNGOKDKBX-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.79
Rot. Bonds3

About N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine

N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine (PubChem CID 107975644) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine
PubChem CID107975644
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine
SMILESCNC(c1ccsc1)c1cn(C)cn1
InChIInChI=1S/C10H13N3S/c1-11-10(8-3-4-14-6-8)9-5-13(2)7-12-9/h3-7,10-11H,1-2H3
InChIKeyKPZKFCNGOKDKBX-UHFFFAOYSA-N
XLogP1.79
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978079
1-(3-bromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107976806
N-methyl-1-(thiadiazol-4-yl)-1-thiophen-3-ylmethanamine
CID 105153904
1-(3,4-dimethoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974741
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 114022962
1-(2-methoxyphenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107973755
1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
N-methyl-1-(2-methyl-4-pyridinyl)-1-thiophen-3-ylmethanamine
CID 106755405
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107978022
N-methyl-1-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-3-ylmethanamine
CID 104988232
1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122
1-isoquinolin-4-yl-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107975243

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine (CID 107975644) is N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine is CNC(c1ccsc1)c1cn(C)cn1.
What is the InChIKey of N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine?
The InChIKey is KPZKFCNGOKDKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-11-10(8-3-4-14-6-8)9-5-13(2)7-12-9/h3-7,10-11H,1-2H3.
What are the key properties of N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine?
N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylimidazol-4-yl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 107975644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).