N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide

C19H19ClN4OS — CID 69085656

IUPACN-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(CNC(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C19H19ClN4OS/c1-12(15-6-4-3-5-7-15)21-11-14-8-9-16(20)17(10-14)22-19(25)18-13(2)23-24-26-18/h3-10,12,21H,11H2,1-2H3,(H,22,25)
InChIKeyAZPYPPUUQUGDRI-UHFFFAOYSA-N
MW386.91 g/mol
LogP4.60
Rot. Bonds6

About N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 69085656) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID69085656
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC NameN-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cc(CNC(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C19H19ClN4OS/c1-12(15-6-4-3-5-7-15)21-11-14-8-9-16(20)17(10-14)22-19(25)18-13(2)23-24-26-18/h3-10,12,21H,11H2,1-2H3,(H,22,25)
InChIKeyAZPYPPUUQUGDRI-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 68895617
N-[2-chloro-5-[[[(1R)-1-phenylethyl]amino]methyl]phenyl]-2,3-dihydrothiophene-5-carboxamide
CID 71067085
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 62915609
N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45145420
(1S)-N-[(4-chloro-3-fluorophenyl)methyl]-1-phenylethanamine
CID 78950457
3-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]pyridine-2-carboxamide
CID 142781165
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
4-chloro-3-[(4-ethylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206218
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
2-[3-[(4-methylthiadiazole-5-carbonyl)amino]phenyl]acetic acid
CID 65346450

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 69085656) is N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cc(CNC(C)c2ccccc2)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is AZPYPPUUQUGDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-12(15-6-4-3-5-7-15)21-11-14-8-9-16(20)17(10-14)22-19(25)18-13(2)23-24-26-18/h3-10,12,21H,11H2,1-2H3,(H,22,25).
What are the key properties of N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(1-phenylethylamino)methyl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 69085656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).