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

C17H22N6OS — CID 131932570

IUPAC2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1nc(CC(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)cs1
InChIInChI=1S/C17H22N6OS/c1-11-20-14(8-25-11)3-15(24)21-16-4-12-2-13(5-16)7-17(6-12,9-16)23-19-10-18-22-23/h8,10,12-13H,2-7,9H2,1H3,(H,21,24)
InChIKeyBOKIRBKTPWGQLV-UHFFFAOYSA-N
MW358.47 g/mol
LogP1.84
Rot. Bonds4

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

2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (PubChem CID 131932570) has the molecular formula C17H22N6OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
PubChem CID131932570
Molecular FormulaC17H22N6OS
Molecular Weight358.47 g/mol
Exact Mass358.16
IUPAC Name2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
SMILESCc1nc(CC(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)cs1
InChIInChI=1S/C17H22N6OS/c1-11-20-14(8-25-11)3-15(24)21-16-4-12-2-13(5-16)7-17(6-12,9-16)23-19-10-18-22-23/h8,10,12-13H,2-7,9H2,1H3,(H,21,24)
InChIKeyBOKIRBKTPWGQLV-UHFFFAOYSA-N
XLogP1.84
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-[3-(tetrazol-2-yl)-1-adamantyl]piperidine-2-carboxamide;hydrochloride
CID 154913430
(4S)-4,6-dimethyl-2-oxo-N-[(5R,7S)-3-(tetrazol-2-yl)-1-adamantyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95215791
2-(2-methyl-4-oxoquinolin-1-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131896167
4-[(5-methyltetrazol-1-yl)methyl]-N-[3-(tetrazol-2-yl)-1-adamantyl]benzamide
CID 131931453
4,6-dimethyl-2-oxo-N-[3-(tetrazol-2-yl)-1-adamantyl]-1H-pyridine-3-carboxamide
CID 131950060
3-(2-aminopyrimidin-5-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]prop-2-enamide
CID 171139595
[2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 3567837
2-[(5S,7S)-3-(tetrazol-2-yl)-1-adamantyl]acetohydrazide
CID 98138161
1-(difluoromethyl)-N-[3-(tetrazol-2-yl)-1-adamantyl]pyrazole-3-carboxamide
CID 131932557
N-(pyrimidin-5-ylmethyl)-3-(tetrazol-2-yl)adamantan-1-amine
CID 131939533
2-(1-methylpyrrol-3-yl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]acetamide
CID 45247652
(5S,7S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(tetrazol-2-yl)adamantane-1-carboxamide
CID 98137972

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The IUPAC name of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide (CID 131932570) is 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is Cc1nc(CC(=O)NC23CC4CC(C2)CC(n2ncnn2)(C4)C3)cs1.
What is the InChIKey of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
The InChIKey is BOKIRBKTPWGQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6OS/c1-11-20-14(8-25-11)3-15(24)21-16-4-12-2-13(5-16)7-17(6-12,9-16)23-19-10-18-22-23/h8,10,12-13H,2-7,9H2,1H3,(H,21,24).
What are the key properties of 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide?
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide has a molecular weight of 358.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide is sourced from PubChem (CID 131932570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).