N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine

C11H20ClN3S — CID 65277749

IUPACN-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(CCCl)C(CC)CC)n1
InChIInChI=1S/C11H20ClN3S/c1-4-9(5-2)15(8-7-12)11-13-10(6-3)14-16-11/h9H,4-8H2,1-3H3
InChIKeyPEHBKDBJBQHMBF-UHFFFAOYSA-N
MW261.82 g/mol
LogP3.33
Rot. Bonds7

About N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine

N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65277749) has the molecular formula C11H20ClN3S and a molecular weight of 261.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID65277749
Molecular FormulaC11H20ClN3S
Molecular Weight261.82 g/mol
Exact Mass261.11
IUPAC NameN-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(CCCl)C(CC)CC)n1
InChIInChI=1S/C11H20ClN3S/c1-4-9(5-2)15(8-7-12)11-13-10(6-3)14-16-11/h9H,4-8H2,1-3H3
InChIKeyPEHBKDBJBQHMBF-UHFFFAOYSA-N
XLogP3.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.82
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-4,5-dimethyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 65169152
N-(2-chloroethyl)-N-cyclopropyl-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65277332
N-(2-chloroethyl)-N-pentan-3-yl-2,1-benzothiazol-3-amine
CID 66354069
N-(2-chloro-3-methoxypropyl)-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 65277691
3-(chloromethyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine
CID 18984635
N-(2-chloroethyl)-N-pentan-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63390383
N-(2-chloroethyl)-N-cyclohexyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65278155
3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 115886093
N-(5-chloropentyl)-N-methyl-3-propyl-1,2,4-thiadiazol-5-amine
CID 107205342
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-methylpentane-1,5-diamine
CID 107207074
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)-methylamino]-2-methylpropanenitrile
CID 65272261
N-(2-chloroethyl)-5-methyl-N-pentan-3-ylpyridazin-3-amine
CID 106550626

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine (CID 65277749) is N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(CCCl)C(CC)CC)n1.
What is the InChIKey of N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PEHBKDBJBQHMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3S/c1-4-9(5-2)15(8-7-12)11-13-10(6-3)14-16-11/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine?
N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 261.82 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-ethyl-N-pentan-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).