N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

C17H18N6OS — CID 91773967

IUPACN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1nc2c(s1)CCC2)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C17H18N6OS/c24-17(18-10-9-15-20-13-7-4-8-14(13)25-15)16(23-11-19-21-22-23)12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2,(H,18,24)
InChIKeyRURJYYMBGGTMDP-UHFFFAOYSA-N
MW354.44 g/mol
LogP1.57
Rot. Bonds6

About N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (PubChem CID 91773967) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
PubChem CID91773967
Molecular FormulaC17H18N6OS
Molecular Weight354.44 g/mol
Exact Mass354.13
IUPAC NameN-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
SMILESO=C(NCCc1nc2c(s1)CCC2)C(c1ccccc1)n1cnnn1
InChIInChI=1S/C17H18N6OS/c24-17(18-10-9-15-20-13-7-4-8-14(13)25-15)16(23-11-19-21-22-23)12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2,(H,18,24)
InChIKeyRURJYYMBGGTMDP-UHFFFAOYSA-N
XLogP1.57
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 51.57
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-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71701108
(2R)-N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
CID 126436910
(2S)-N-[2-(4-hydroxyphenyl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 71828617
(2S)-2-phenyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71829057
2-phenyl-N-propan-2-yl-2-(tetrazol-1-yl)acetamide
CID 74661726
(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 95394930
2-phenyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)acetamide
CID 71709673
(2S)-2-phenyl-N-(pyridin-2-ylmethyl)-2-(tetrazol-1-yl)acetamide
CID 71829669
trans-(1R,2R)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610050
trans-(1S,2S)-2-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124610049
(2R)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-phenyl-2-(tetrazol-1-yl)acetamide
CID 97266729

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide (CID 91773967) is N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is O=C(NCCc1nc2c(s1)CCC2)C(c1ccccc1)n1cnnn1.
What is the InChIKey of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
The InChIKey is RURJYYMBGGTMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c24-17(18-10-9-15-20-13-7-4-8-14(13)25-15)16(23-11-19-21-22-23)12-5-2-1-3-6-12/h1-3,5-6,11,16H,4,7-10H2,(H,18,24).
What are the key properties of N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide?
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide has a molecular weight of 354.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-phenyl-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 91773967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).