N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide

C17H26N6OS — CID 92626431

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CN2CCC[C@H](Cn3ccnc3)C2)s1
InChIInChI=1S/C17H26N6OS/c1-17(2,3)15-20-21-16(25-15)19-14(24)11-22-7-4-5-13(9-22)10-23-8-6-18-12-23/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,19,21,24)/t13-/m0/s1
InChIKeyXFXCTYKRCDDTDV-ZDUSSCGKSA-N
MW362.50 g/mol
LogP2.38
Rot. Bonds5

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 92626431) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID92626431
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESCC(C)(C)c1nnc(NC(=O)CN2CCC[C@H](Cn3ccnc3)C2)s1
InChIInChI=1S/C17H26N6OS/c1-17(2,3)15-20-21-16(25-15)19-14(24)11-22-7-4-5-13(9-22)10-23-8-6-18-12-23/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,19,21,24)/t13-/m0/s1
InChIKeyXFXCTYKRCDDTDV-ZDUSSCGKSA-N
XLogP2.38
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 126789529
N-(1,3-benzothiazol-2-yl)-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493777
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 46971924
2-[(3R)-3-methylpiperidin-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 29132499
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 67953358
N-cyclopentyl-2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90493767
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 1164371
2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71926963
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(3-ethyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetamide
CID 126812719
methyl 6-(imidazol-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 14501928
3-[[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methyl]pyridine
CID 95717145
(2S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-propylpyrrolidine-2-carboxamide
CID 67953357

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 92626431) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide is CC(C)(C)c1nnc(NC(=O)CN2CCC[C@H](Cn3ccnc3)C2)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is XFXCTYKRCDDTDV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-17(2,3)15-20-21-16(25-15)19-14(24)11-22-7-4-5-13(9-22)10-23-8-6-18-12-23/h6,8,12-13H,4-5,7,9-11H2,1-3H3,(H,19,21,24)/t13-/m0/s1.
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 362.50 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 92626431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).