N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide

C10H13ClN2S — CID 106043235

IUPACN'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
SMILESN/C(=N\CCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C10H13ClN2S/c11-9-4-3-8(14-9)5-6-13-10(12)7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,12,13)
InChIKeyBWWWNYVXWQQZKN-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.71
Rot. Bonds4

About N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide

N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide (PubChem CID 106043235) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
PubChem CID106043235
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC NameN'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
SMILESN/C(=N\CCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C10H13ClN2S/c11-9-4-3-8(14-9)5-6-13-10(12)7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,12,13)
InChIKeyBWWWNYVXWQQZKN-UHFFFAOYSA-N
XLogP2.71
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide 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

2-[4-(5-chlorothiophen-2-yl)butyl]guanidine
CID 95448839
N-[2-[[N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927251
N'-[(5-methylthiophen-2-yl)methyl]cyclopropanecarboximidamide
CID 63176240
N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide
CID 63245026
3-(5-chlorothiophen-2-yl)-1-cyclopropylpropan-1-ol
CID 63357723
methyl N'-[2-[(5-chlorothiophen-2-yl)methylsulfanyl]ethyl]carbamimidothioate;hydroiodide
CID 173377773
N'-[2-(5-chlorothiophen-2-yl)ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111072326
N'-[2-(5-bromothiophen-2-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110921015
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
2-(5-chlorothiophen-2-yl)ethanesulfinamide
CID 143307384
N'-[(2-chlorophenyl)methyl]cyclopropanecarboximidamide
CID 63174432
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111870022

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide (CID 106043235) is N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide is N/C(=N\CCc1ccc(Cl)s1)C1CC1.
What is the InChIKey of N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide?
The InChIKey is BWWWNYVXWQQZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c11-9-4-3-8(14-9)5-6-13-10(12)7-1-2-7/h3-4,7H,1-2,5-6H2,(H2,12,13).
What are the key properties of N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide?
N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide has a molecular weight of 228.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 106043235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).