N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

C14H16N4OS — CID 104954686

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCc1nnc(NC(=O)c2cccc3c2CCCN3)s1
InChIInChI=1S/C14H16N4OS/c1-2-12-17-18-14(20-12)16-13(19)10-5-3-7-11-9(10)6-4-8-15-11/h3,5,7,15H,2,4,6,8H2,1H3,(H,16,18,19)
InChIKeyGMBTZPSAHSOBSP-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.71
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 104954686) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID104954686
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCc1nnc(NC(=O)c2cccc3c2CCCN3)s1
InChIInChI=1S/C14H16N4OS/c1-2-12-17-18-14(20-12)16-13(19)10-5-3-7-11-9(10)6-4-8-15-11/h3,5,7,15H,2,4,6,8H2,1H3,(H,16,18,19)
InChIKeyGMBTZPSAHSOBSP-UHFFFAOYSA-N
XLogP2.71
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107463094
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylsulfanylbenzamide
CID 2475480
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
2,6-dichloro-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 17311642
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 104954686) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCc1nnc(NC(=O)c2cccc3c2CCCN3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is GMBTZPSAHSOBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-12-17-18-14(20-12)16-13(19)10-5-3-7-11-9(10)6-4-8-15-11/h3,5,7,15H,2,4,6,8H2,1H3,(H,16,18,19).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 104954686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).