N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

C10H10FN3OS — CID 83296865

IUPACN-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(CNc2nncs2)ccc1F
InChIInChI=1S/C10H10FN3OS/c1-15-9-4-7(2-3-8(9)11)5-12-10-14-13-6-16-10/h2-4,6H,5H2,1H3,(H,12,14)
InChIKeyPHYWXQDCRQMFHB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.30
Rot. Bonds4

About N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 83296865) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID83296865
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC NameN-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1cc(CNc2nncs2)ccc1F
InChIInChI=1S/C10H10FN3OS/c1-15-9-4-7(2-3-8(9)11)5-12-10-14-13-6-16-10/h2-4,6H,5H2,1H3,(H,12,14)
InChIKeyPHYWXQDCRQMFHB-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924514
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648578
4-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081280
N-[(2,3,4-trimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 103865640
1-(4-fluoro-3-methoxyphenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 81284399
N-[(3,4-dimethoxyphenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82799891
N-[[4-(chloromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 107233099
5-(ethylaminomethyl)-2-methoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081210
N-[(3,4-dibromophenyl)methyl]-4-fluoro-3-methoxyaniline
CID 114838318
2-fluoro-5-[(propan-2-ylamino)methyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081167
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133335499
2-fluoro-4-[(4-fluoro-3-methoxyanilino)methyl]benzoic acid
CID 106700567

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 83296865) is N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is COc1cc(CNc2nncs2)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is PHYWXQDCRQMFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c1-15-9-4-7(2-3-8(9)11)5-12-10-14-13-6-16-10/h2-4,6H,5H2,1H3,(H,12,14).
What are the key properties of N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 83296865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).