N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide

C18H24N4OS — CID 100624175

IUPACN-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H24N4OS/c1-13-11-22(12-15-7-5-4-6-8-15)10-9-16(13)21(3)18(23)17-14(2)19-20-24-17/h4-8,13,16H,9-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyYZSFABCRSHPGQK-CJNGLKHVSA-N
MW344.48 g/mol
LogP2.83
Rot. Bonds4

About N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide

N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide (PubChem CID 100624175) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
PubChem CID100624175
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H24N4OS/c1-13-11-22(12-15-7-5-4-6-8-15)10-9-16(13)21(3)18(23)17-14(2)19-20-24-17/h4-8,13,16H,9-12H2,1-3H3/t13-,16+/m1/s1
InChIKeyYZSFABCRSHPGQK-CJNGLKHVSA-N
XLogP2.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-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

1-benzyl-N,N,3-trimethylpiperidin-4-amine
CID 71634856
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 125146001
1-[(3S,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(4-nitrophenyl)urea
CID 96533749
N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 45216855
(3R,4S)-1-benzyl-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)piperidin-4-amine
CID 96560100
[3-[benzyl(methyl)amino]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 45206682
(3S,4S)-1-benzyl-N-[2-(1,3-dioxolan-2-yl)ethyl]-N,3-dimethylpiperidin-4-amine
CID 99606871

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide (CID 100624175) is N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide?
The InChIKey is YZSFABCRSHPGQK-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-11-22(12-15-7-5-4-6-8-15)10-9-16(13)21(3)18(23)17-14(2)19-20-24-17/h4-8,13,16H,9-12H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide?
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N,4-dimethylthiadiazole-5-carboxamide is sourced from PubChem (CID 100624175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).