1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone

C23H24N6OS — CID 139656062

IUPAC1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C23H24N6OS/c1-4-13-29(23-24-15(2)21(31-23)16(3)30)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-25-27-28-26-22/h5-12H,4,13-14H2,1-3H3,(H,25,26,27,28)
InChIKeyMOUUMUDMTWMJBT-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.92
Rot. Bonds8

About 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone (PubChem CID 139656062) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone
PubChem CID139656062
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC Name1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone
SMILESCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)c(C(C)=O)s1
InChIInChI=1S/C23H24N6OS/c1-4-13-29(23-24-15(2)21(31-23)16(3)30)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-25-27-28-26-22/h5-12H,4,13-14H2,1-3H3,(H,25,26,27,28)
InChIKeyMOUUMUDMTWMJBT-UHFFFAOYSA-N
XLogP4.92
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
CID 15658030
3,6-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 19791902
6-oxo-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1H-pyridine-3-carboxylic acid
CID 15657962
2,3-dimethyl-N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 67874142
2-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]benzoic acid
CID 15657980
N-butyl-2-chloro-6-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19791758
8-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrido[2,3-b]pyrazine-7-carboxylic acid
CID 67874119
1,3-dibutyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]urea
CID 68516464
3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]carbamoyl]benzoic acid
CID 54108331
N-butyl-2-methyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-4-amine
CID 19792003
1-(2-phenylethyl)-3-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]pyrazole-4-carboxylic acid
CID 139665749
ethyl 4-[butyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-2-methylpyrimidine-5-carboxylate
CID 10254184

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone (CID 139656062) is 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone is CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)c(C(C)=O)s1.
What is the InChIKey of 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone?
The InChIKey is MOUUMUDMTWMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c1-4-13-29(23-24-15(2)21(31-23)16(3)30)14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)22-25-27-28-26-22/h5-12H,4,13-14H2,1-3H3,(H,25,26,27,28).
What are the key properties of 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone has a molecular weight of 432.55 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[propyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 139656062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).