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

C13H10FN3S2 — CID 107648578

IUPACN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CNc2nncs2)cc1-c1cccs1
InChIInChI=1S/C13H10FN3S2/c14-11-4-3-9(7-15-13-17-16-8-19-13)6-10(11)12-2-1-5-18-12/h1-6,8H,7H2,(H,15,17)
InChIKeyCWWNKSLROQYBLH-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.02
Rot. Bonds4

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

N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648578) has the molecular formula C13H10FN3S2 and a molecular weight of 291.38 g/mol. Its IUPAC name is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648578
Molecular FormulaC13H10FN3S2
Molecular Weight291.38 g/mol
Exact Mass291.03
IUPAC NameN-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(CNc2nncs2)cc1-c1cccs1
InChIInChI=1S/C13H10FN3S2/c14-11-4-3-9(7-15-13-17-16-8-19-13)6-10(11)12-2-1-5-18-12/h1-6,8H,7H2,(H,15,17)
InChIKeyCWWNKSLROQYBLH-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422472
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylaniline
CID 63420445
4-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]phenol
CID 61103429
3-fluoro-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]aniline
CID 63422959
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-methylpyrazol-3-amine
CID 61103625
N-ethoxy-1-(4-fluoro-3-thiophen-2-ylphenyl)methanamine
CID 82709130
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656201
N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924514
N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 83296865
(1S)-N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81391284
3-[(4-fluoro-3-thiophen-2-ylphenyl)methylamino]propanamide
CID 61103230
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-4-methylpiperazin-1-amine
CID 83010258

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 107648578) is N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine is Fc1ccc(CNc2nncs2)cc1-c1cccs1.
What is the InChIKey of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CWWNKSLROQYBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S2/c14-11-4-3-9(7-15-13-17-16-8-19-13)6-10(11)12-2-1-5-18-12/h1-6,8H,7H2,(H,15,17).
What are the key properties of N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(4-fluoro-3-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 291.38 g/mol, XLogP of 4.02, 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-thiophen-2-ylphenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).