N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine

C11H11ClF2N2S — CID 107490070

IUPACN-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine
SMILESFC(F)CN(CCCl)c1nccc2sccc12
InChIInChI=1S/C11H11ClF2N2S/c12-3-5-16(7-10(13)14)11-8-2-6-17-9(8)1-4-15-11/h1-2,4,6,10H,3,5,7H2
InChIKeyADVPECNFKKMNEQ-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.61
Rot. Bonds5

About N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine

N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 107490070) has the molecular formula C11H11ClF2N2S and a molecular weight of 276.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine
PubChem CID107490070
Molecular FormulaC11H11ClF2N2S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC NameN-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine
SMILESFC(F)CN(CCCl)c1nccc2sccc12
InChIInChI=1S/C11H11ClF2N2S/c12-3-5-16(7-10(13)14)11-8-2-6-17-9(8)1-4-15-11/h1-2,4,6,10H,3,5,7H2
InChIKeyADVPECNFKKMNEQ-UHFFFAOYSA-N
XLogP3.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylpropyl)-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62587629
2-[propyl(thieno[3,2-c]pyridin-4-yl)amino]ethanol
CID 61425977
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1H-pyrazin-2-one
CID 107490132
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-4-methylpyridin-2-amine
CID 107489921
3-[2-chloroethyl(2,2-difluoroethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 107490116
N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
CID 104555303
N'-cyclopentyl-N'-thieno[3,2-c]pyridin-4-ylethane-1,2-diamine
CID 62587639
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 107489824
3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
CID 107489974
N'-cycloheptyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 60868924
4-[methyl(thieno[3,2-c]pyridin-4-yl)amino]butanoic acid
CID 43522697
N'-phenyl-N'-thieno[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 60870418

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine (CID 107490070) is N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine is FC(F)CN(CCCl)c1nccc2sccc12.
What is the InChIKey of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is ADVPECNFKKMNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N2S/c12-3-5-16(7-10(13)14)11-8-2-6-17-9(8)1-4-15-11/h1-2,4,6,10H,3,5,7H2.
What are the key properties of N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine?
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 276.74 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 107490070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).