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

C15H18N4OS — CID 119270533

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C15H18N4OS/c1-2-5-13-18-19-15(21-13)17-14(20)12-8-10-6-3-4-7-11(10)9-16-12/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H,17,19,20)
InChIKeySKLSBGMRFPTAPL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.14
Rot. Bonds4

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

N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119270533) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119270533
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCCc1nnc(NC(=O)C2Cc3ccccc3CN2)s1
InChIInChI=1S/C15H18N4OS/c1-2-5-13-18-19-15(21-13)17-14(20)12-8-10-6-3-4-7-11(10)9-16-12/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H,17,19,20)
InChIKeySKLSBGMRFPTAPL-UHFFFAOYSA-N
XLogP2.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide 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

(3S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107641825
N-(1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185858
(3S)-1-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3,4-dihydroisochromene-3-carboxamide
CID 30588046
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
(3S)-N-(6-pentyl-3-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 68845319
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
(3R)-N-(4-acetyl-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64557137
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230111
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-(5-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185845

Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119270533) is N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCCc1nnc(NC(=O)C2Cc3ccccc3CN2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is SKLSBGMRFPTAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-2-5-13-18-19-15(21-13)17-14(20)12-8-10-6-3-4-7-11(10)9-16-12/h3-4,6-7,12,16H,2,5,8-9H2,1H3,(H,17,19,20).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119270533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).