N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C18H22N6OS — CID 71701108

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCC(C)(C)c1csc(CCNC(=O)C(c2ccccc2)n2cnnn2)n1
InChIInChI=1S/C18H22N6OS/c1-18(2,3)14-11-26-15(21-14)9-10-19-17(25)16(24-12-20-22-23-24)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,19,25)
InChIKeyZTZYRWCWNBVLIQ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 71701108) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID71701108
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESCC(C)(C)c1csc(CCNC(=O)C(c2ccccc2)n2cnnn2)n1
InChIInChI=1S/C18H22N6OS/c1-18(2,3)14-11-26-15(21-14)9-10-19-17(25)16(24-12-20-22-23-24)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,19,25)
InChIKeyZTZYRWCWNBVLIQ-UHFFFAOYSA-N
XLogP2.38
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-phenyl-2-(tetrazol-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71829684
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 91773967
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
1-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 111545883
(2R)-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 92628125
(2S)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 71828548
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 90652631
ethyl 2-[2-[[(2S)-2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 71829861
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71709339
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 71701108) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is CC(C)(C)c1csc(CCNC(=O)C(c2ccccc2)n2cnnn2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is ZTZYRWCWNBVLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-18(2,3)14-11-26-15(21-14)9-10-19-17(25)16(24-12-20-22-23-24)13-7-5-4-6-8-13/h4-8,11-12,16H,9-10H2,1-3H3,(H,19,25).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 370.48 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 71701108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).