5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride

C13H15Cl2FN4OS — CID 118304626

IUPAC5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
SMILESCc1nnc(NC(=O)c2cc(C3CC3N)ccc2F)s1.Cl.Cl
InChIInChI=1S/C13H13FN4OS.2ClH/c1-6-17-18-13(20-6)16-12(19)9-4-7(2-3-10(9)14)8-5-11(8)15;;/h2-4,8,11H,5,15H2,1H3,(H,16,18,19);2*1H
InChIKeyNXLLUHHNKIPLOB-UHFFFAOYSA-N
MW365.26 g/mol
LogP2.90
Rot. Bonds3

About 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride

5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride (PubChem CID 118304626) has the molecular formula C13H15Cl2FN4OS and a molecular weight of 365.26 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
PubChem CID118304626
Molecular FormulaC13H15Cl2FN4OS
Molecular Weight365.26 g/mol
Exact Mass364.03
IUPAC Name5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
SMILESCc1nnc(NC(=O)c2cc(C3CC3N)ccc2F)s1.Cl.Cl
InChIInChI=1S/C13H13FN4OS.2ClH/c1-6-17-18-13(20-6)16-12(19)9-4-7(2-3-10(9)14)8-5-11(8)15;;/h2-4,8,11H,5,15H2,1H3,(H,16,18,19);2*1H
InChIKeyNXLLUHHNKIPLOB-UHFFFAOYSA-N
XLogP2.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 115597803
5-[2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304597
cyclopropylmethyl-[(1R,2S)-2-[4-fluoro-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304287
4-(2-aminocyclopropyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 118432880
5-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]-2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride
CID 118304610
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,5-difluorobenzamide
CID 79512495
2-bromo-4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 16563023
[2-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]cyclopropyl] carbamate
CID 118378788
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
(1R)-2-(4-fluoro-3-methylphenyl)cyclopropan-1-amine
CID 70211695
2-[[5-[(2-fluoro-5-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 62516686
4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 6941940

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride?
The IUPAC name of 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride (CID 118304626) is 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride?
The canonical SMILES for 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride is Cc1nnc(NC(=O)c2cc(C3CC3N)ccc2F)s1.Cl.Cl.
What is the InChIKey of 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride?
The InChIKey is NXLLUHHNKIPLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS.2ClH/c1-6-17-18-13(20-6)16-12(19)9-4-7(2-3-10(9)14)8-5-11(8)15;;/h2-4,8,11H,5,15H2,1H3,(H,16,18,19);2*1H.
What are the key properties of 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride?
5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride has a molecular weight of 365.26 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-2-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 118304626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).