N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine

C10H8ClF2N3OS — CID 103933846

IUPACN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)Oc1ccc(Cl)cc1CNc1nncs1
InChIInChI=1S/C10H8ClF2N3OS/c11-7-1-2-8(17-9(12)13)6(3-7)4-14-10-16-15-5-18-10/h1-3,5,9H,4H2,(H,14,16)
InChIKeyJJSNWSHVQYHASD-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.40
Rot. Bonds5

About N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine

N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103933846) has the molecular formula C10H8ClF2N3OS and a molecular weight of 291.71 g/mol. Its IUPAC name is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103933846
Molecular FormulaC10H8ClF2N3OS
Molecular Weight291.71 g/mol
Exact Mass291.00
IUPAC NameN-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESFC(F)Oc1ccc(Cl)cc1CNc1nncs1
InChIInChI=1S/C10H8ClF2N3OS/c11-7-1-2-8(17-9(12)13)6(3-7)4-14-10-16-15-5-18-10/h1-3,5,9H,4H2,(H,14,16)
InChIKeyJJSNWSHVQYHASD-UHFFFAOYSA-N
XLogP3.40
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2,4-bis(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 103933828
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2-bromo-5-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]aniline
CID 81268813
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82719785
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-methylaniline
CID 63478583
2-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]ethanol
CID 43424974
2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylamino]phenol
CID 107678079
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 43425516
4-bromo-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-fluoroaniline
CID 65436714
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970987
1-(4-bromothiophen-2-yl)-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]methanamine
CID 60956586
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-5-fluoro-2-methylaniline
CID 43425414

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine (CID 103933846) is N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine is FC(F)Oc1ccc(Cl)cc1CNc1nncs1.
What is the InChIKey of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JJSNWSHVQYHASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF2N3OS/c11-7-1-2-8(17-9(12)13)6(3-7)4-14-10-16-15-5-18-10/h1-3,5,9H,4H2,(H,14,16).
What are the key properties of N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 291.71 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103933846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).