N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide

C15H18N4OS — CID 129429409

IUPACN-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESC[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1csnn1
InChIInChI=1S/C15H18N4OS/c1-11-7-19(8-12-5-3-2-4-6-12)9-13(11)16-15(20)14-10-21-18-17-14/h2-6,10-11,13H,7-9H2,1H3,(H,16,20)/t11-,13+/m0/s1
InChIKeyGIJHSXIROIXZRS-WCQYABFASA-N
MW302.40 g/mol
LogP1.79
Rot. Bonds4

About N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide

N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide (PubChem CID 129429409) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
PubChem CID129429409
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide
SMILESC[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1csnn1
InChIInChI=1S/C15H18N4OS/c1-11-7-19(8-12-5-3-2-4-6-12)9-13(11)16-15(20)14-10-21-18-17-14/h2-6,10-11,13H,7-9H2,1H3,(H,16,20)/t11-,13+/m0/s1
InChIKeyGIJHSXIROIXZRS-WCQYABFASA-N
XLogP1.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R,3S)-2-methyloxolan-3-yl]urea
CID 129446372
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429508
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]cyclopent-3-ene-1-carboxamide
CID 129429507
1-cyclopropyl-N-[(3R,4R)-4-methyl-1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]triazole-4-carboxamide
CID 130365326
N-[(3R,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 97308491
N-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 100909648
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 99108818
cis-(1S,3R)-3-[(1-benzyl-4-methylpyrrolidin-3-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066110
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)urea
CID 124738956
3-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(2-hydroxyethyl)-1-methylurea
CID 98889493

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide (CID 129429409) is N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide is C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1csnn1.
What is the InChIKey of N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide?
The InChIKey is GIJHSXIROIXZRS-WCQYABFASA-N. The full InChI is InChI=1S/C15H18N4OS/c1-11-7-19(8-12-5-3-2-4-6-12)9-13(11)16-15(20)14-10-21-18-17-14/h2-6,10-11,13H,7-9H2,1H3,(H,16,20)/t11-,13+/m0/s1.
What are the key properties of N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide?
N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 129429409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).