7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane

C10H15ClN2S — CID 130117727

IUPAC7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
SMILESCN1CCNCCC1c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-13-7-6-12-5-4-8(13)9-2-3-10(11)14-9/h2-3,8,12H,4-7H2,1H3
InChIKeyNHNDPGUNKGXPIJ-UHFFFAOYSA-N
MW230.76 g/mol
LogP2.37
Rot. Bonds1

About 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane

7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane (PubChem CID 130117727) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane.

Molecular Properties

Compound Name7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
PubChem CID130117727
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
SMILESCN1CCNCCC1c1ccc(Cl)s1
InChIInChI=1S/C10H15ClN2S/c1-13-7-6-12-5-4-8(13)9-2-3-10(11)14-9/h2-3,8,12H,4-7H2,1H3
InChIKeyNHNDPGUNKGXPIJ-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-chloro-4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82623320
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
2-(5-chlorothiophen-2-yl)-1-propan-2-ylpyrrolidine
CID 71120044
2-[(5-chlorothiophen-2-yl)sulfanylmethyl]-1-methylpiperazine
CID 117034439
5-chloro-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]thiophen-2-amine
CID 115238312
1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane
CID 82664723
1-[1-(5-chlorothiophen-2-yl)ethyl]piperazine
CID 61057830
5-[4-(5-chlorothiophen-2-yl)-1H-pyrrol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 137154562
5-chloro-N-methyl-N-(2-piperazin-1-ylethyl)thiophen-2-amine
CID 115230327
7-(6-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665869
7-(3-ethoxyphenyl)-1-methyl-1,4-diazepane
CID 82290812
5-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957886

Frequently Asked Questions

What is the IUPAC name of 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane?
The IUPAC name of 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane (CID 130117727) is 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane.
What is the SMILES notation for 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane?
The canonical SMILES for 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane is CN1CCNCCC1c1ccc(Cl)s1.
What is the InChIKey of 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane?
The InChIKey is NHNDPGUNKGXPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-13-7-6-12-5-4-8(13)9-2-3-10(11)14-9/h2-3,8,12H,4-7H2,1H3.
What are the key properties of 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane?
7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane has a molecular weight of 230.76 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane is sourced from PubChem (CID 130117727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).