N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

C20H21N7OS — CID 9118695

IUPACN-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1cc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)n1CCc1ccccc1
InChIInChI=1S/C20H21N7OS/c1-14-10-17(15(2)27(14)9-8-16-6-4-3-5-7-16)18-12-29-20(22-18)23-19(28)11-26-13-21-24-25-26/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,22,23,28)
InChIKeyAOXVFZYSVMLYEH-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.10
Rot. Bonds7

About N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide

N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 9118695) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID9118695
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
SMILESCc1cc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)n1CCc1ccccc1
InChIInChI=1S/C20H21N7OS/c1-14-10-17(15(2)27(14)9-8-16-6-4-3-5-7-16)18-12-29-20(22-18)23-19(28)11-26-13-21-24-25-26/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,22,23,28)
InChIKeyAOXVFZYSVMLYEH-UHFFFAOYSA-N
XLogP3.10
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-methylsulfonylpropanamide
CID 112830582
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 8873123
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 78775295
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2117243
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetamide
CID 11918014
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-phenoxybenzamide
CID 2451829
2-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17418164
N-[4-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-pyridin-3-ylpropanamide
CID 17455131
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 4784781
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 33283365
4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 2457145
N-[4-(1-benzyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 2452631

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide (CID 9118695) is N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is Cc1cc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)n1CCc1ccccc1.
What is the InChIKey of N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is AOXVFZYSVMLYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-14-10-17(15(2)27(14)9-8-16-6-4-3-5-7-16)18-12-29-20(22-18)23-19(28)11-26-13-21-24-25-26/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,22,23,28).
What are the key properties of N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide?
N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 407.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 9118695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).