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

C14H16N4OS — CID 107641825

IUPAC(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2)s1
InChIInChI=1S/C14H16N4OS/c1-2-12-17-18-14(20-12)16-13(19)11-7-9-5-3-4-6-10(9)8-15-11/h3-6,11,15H,2,7-8H2,1H3,(H,16,18,19)/t11-/m0/s1
InChIKeyANVUGANHEYFASO-NSHDSACASA-N
MW288.38 g/mol
LogP1.75
Rot. Bonds3

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

(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 107641825) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID107641825
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2)s1
InChIInChI=1S/C14H16N4OS/c1-2-12-17-18-14(20-12)16-13(19)11-7-9-5-3-4-6-10(9)8-15-11/h3-6,11,15H,2,7-8H2,1H3,(H,16,18,19)/t11-/m0/s1
InChIKeyANVUGANHEYFASO-NSHDSACASA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119270533
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopiperazine-2-carboxamide
CID 107641827
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103814858
N-[4-(propanoylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119296176
(3S)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985001
(3R)-N-(4,6-dimethyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104985000
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxypyrrolidine-2-carboxamide
CID 119675992
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185845
N-[4-(ethylsulfonylamino)phenyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119282551
(3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896386

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 107641825) is (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2)s1.
What is the InChIKey of (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ANVUGANHEYFASO-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-12-17-18-14(20-12)16-13(19)11-7-9-5-3-4-6-10(9)8-15-11/h3-6,11,15H,2,7-8H2,1H3,(H,16,18,19)/t11-/m0/s1.
What are the key properties of (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 288.38 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 107641825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).