N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C14H16N4OS — CID 138054103

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCCCc3ccccc32)s1
InChIInChI=1S/C14H16N4OS/c1-10-16-17-13(20-10)15-14(19)18-9-5-4-7-11-6-2-3-8-12(11)18/h2-3,6,8H,4-5,7,9H2,1H3,(H,15,17,19)
InChIKeyLSMUDXNJLBVEOC-UHFFFAOYSA-N
MW288.38 g/mol
LogP3.22
Rot. Bonds1

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 138054103) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID138054103
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESCc1nnc(NC(=O)N2CCCCc3ccccc32)s1
InChIInChI=1S/C14H16N4OS/c1-10-16-17-13(20-10)15-14(19)18-9-5-4-7-11-6-2-3-8-12(11)18/h2-3,6,8H,4-5,7,9H2,1H3,(H,15,17,19)
InChIKeyLSMUDXNJLBVEOC-UHFFFAOYSA-N
XLogP3.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide with MolForge

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Related Compounds

(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831135
N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220949
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
N-(1H-1,2,4-triazol-5-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 45087001
N-benzoyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69369112
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619414
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one
CID 29248826
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 138054103) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is Cc1nnc(NC(=O)N2CCCCc3ccccc32)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is LSMUDXNJLBVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-10-16-17-13(20-10)15-14(19)18-9-5-4-7-11-6-2-3-8-12(11)18/h2-3,6,8H,4-5,7,9H2,1H3,(H,15,17,19).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 138054103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).