N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

C11H12ClN3S2 — CID 80609529

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESClc1nnc(CN(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C11H12ClN3S2/c12-11-14-13-10(17-11)6-15(9-1-2-9)5-8-3-4-16-7-8/h3-4,7,9H,1-2,5-6H2
InChIKeyJSXMGBRHLMSJCG-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.42
Rot. Bonds5

About N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (PubChem CID 80609529) has the molecular formula C11H12ClN3S2 and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
PubChem CID80609529
Molecular FormulaC11H12ClN3S2
Molecular Weight285.82 g/mol
Exact Mass285.02
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
SMILESClc1nnc(CN(Cc2ccsc2)C2CC2)s1
InChIInChI=1S/C11H12ClN3S2/c12-11-14-13-10(17-11)6-15(9-1-2-9)5-8-3-4-16-7-8/h3-4,7,9H,1-2,5-6H2
InChIKeyJSXMGBRHLMSJCG-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606197
N-[(6-chloro-3-pyridinyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61434645
2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole
CID 63386125
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
N-[[2-(aminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 62436984
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
N-[[5-(ethylaminomethyl)thiophen-2-yl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 107556382
5-chloro-6-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-ethylpyridin-2-amine
CID 62892730
N-[[2-(aminomethyl)phenyl]methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61433648
1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62630679

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine (CID 80609529) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is Clc1nnc(CN(Cc2ccsc2)C2CC2)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
The InChIKey is JSXMGBRHLMSJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S2/c12-11-14-13-10(17-11)6-15(9-1-2-9)5-8-3-4-16-7-8/h3-4,7,9H,1-2,5-6H2.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine has a molecular weight of 285.82 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 80609529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).