N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

C11H18ClN3S — CID 83153379

IUPACN-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc(Cl)cs1)C1CCCC1
InChIInChI=1S/C11H18ClN3S/c1-15(9-4-2-3-5-9)7-6-13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZBHFGWSSACFLQI-UHFFFAOYSA-N
MW259.81 g/mol
LogP3.08
Rot. Bonds5

About N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine

N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 83153379) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID83153379
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC NameN-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCN(CCNc1nc(Cl)cs1)C1CCCC1
InChIInChI=1S/C11H18ClN3S/c1-15(9-4-2-3-5-9)7-6-13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZBHFGWSSACFLQI-UHFFFAOYSA-N
XLogP3.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-2-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63587094
N'-cyclohexyl-N'-methyl-N-(4-methyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 54880424
N-(4-chloro-1,3-thiazol-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 83152296
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
4-chloro-N-(cyclopentylmethyl)-1,3-thiazol-2-amine
CID 83152879
6-chloro-2-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80829285
N'-cyclopentyl-N'-methyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 65273754
6-chloro-4-N-[2-[cyclopentyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 78942098
N-(3-chloro-4-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 79841594
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
4-chloro-N-[(2-methylcyclohexyl)methyl]-1,3-thiazol-2-amine
CID 83152530
N-(4-chloro-1,2,5-thiadiazol-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316884

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine (CID 83153379) is N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is CN(CCNc1nc(Cl)cs1)C1CCCC1.
What is the InChIKey of N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is ZBHFGWSSACFLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-15(9-4-2-3-5-9)7-6-13-11-14-10(12)8-16-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine?
N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 259.81 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-thiazol-2-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 83153379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).