2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C17H27N7OS — CID 25454332

IUPAC2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCc2csc(C(C)C)n2)CC1
InChIInChI=1S/C17H27N7OS/c1-12(2)17-19-14(11-26-17)8-18-16(25)10-24-15(20-21-22-24)9-23-6-4-13(3)5-7-23/h11-13H,4-10H2,1-3H3,(H,18,25)
InChIKeyCKAOUAWKWPRSFY-UHFFFAOYSA-N
MW377.52 g/mol
LogP1.80
Rot. Bonds7

About 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 25454332) has the molecular formula C17H27N7OS and a molecular weight of 377.52 g/mol. Its IUPAC name is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID25454332
Molecular FormulaC17H27N7OS
Molecular Weight377.52 g/mol
Exact Mass377.20
IUPAC Name2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC1CCN(Cc2nnnn2CC(=O)NCc2csc(C(C)C)n2)CC1
InChIInChI=1S/C17H27N7OS/c1-12(2)17-19-14(11-26-17)8-18-16(25)10-24-15(20-21-22-24)9-23-6-4-13(3)5-7-23/h11-13H,4-10H2,1-3H3,(H,18,25)
InChIKeyCKAOUAWKWPRSFY-UHFFFAOYSA-N
XLogP1.80
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-Methyl-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53509958
2-[3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 53595094
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 72142680
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 72142693
2-{3-[5-(Ethylsulfanyl)-4-methyl-1,2,4-triazol-3-YL]piperidin-1-YL}-N-(4-methyl-1,3-thiazol-2-YL)acetamide
CID 6489421
4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]piperidine
CID 72838261
N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-3-(5-methyl-1H-tetrazol-1-yl)propanamide
CID 91764623
N-[trans-3-(5-{[[(2-isopropyl-1,3-thiazol-4-yl)methyl](methyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]acetamide
CID 91785789
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 96990224
3-(5-methyl-1H-tetrazol-1-yl)-N-[(2-propyl-1,3-thiazol-4-yl)methyl]propanamide
CID 118794833
2-methyl-N-((7-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)thiazole-4-carboxamide
CID 121022025
N-[[(2S,4S)-4-fluoro-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 128993906

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 25454332) is 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC1CCN(Cc2nnnn2CC(=O)NCc2csc(C(C)C)n2)CC1.
What is the InChIKey of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is CKAOUAWKWPRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7OS/c1-12(2)17-19-14(11-26-17)8-18-16(25)10-24-15(20-21-22-24)9-23-6-4-13(3)5-7-23/h11-13H,4-10H2,1-3H3,(H,18,25).
What are the key properties of 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 377.52 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 25454332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).