N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

C23H24N6O3S — CID 55996281

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C(C(C)C)n3nnc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C23H24N6O3S/c1-14(2)20(29-27-21(26-28-29)15-8-6-5-7-9-15)22(30)25-23-24-18(13-33-23)17-12-16(31-3)10-11-19(17)32-4/h5-14,20H,1-4H3,(H,24,25,30)
InChIKeyFJMFFHNDAGPRHX-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.32
Rot. Bonds8

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 55996281) has the molecular formula C23H24N6O3S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
PubChem CID55996281
Molecular FormulaC23H24N6O3S
Molecular Weight464.55 g/mol
Exact Mass464.16
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)C(C(C)C)n3nnc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C23H24N6O3S/c1-14(2)20(29-27-21(26-28-29)15-8-6-5-7-9-15)22(30)25-23-24-18(13-33-23)17-12-16(31-3)10-11-19(17)32-4/h5-14,20H,1-4H3,(H,24,25,30)
InChIKeyFJMFFHNDAGPRHX-UHFFFAOYSA-N
XLogP4.32
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-amino-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3,3-dimethylbutanamide
CID 119679944
methyl N-[1-[[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 47991752
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxybutanamide
CID 8873084
(2S)-3-methyl-2-(5-phenyltetrazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 94638623
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-methylphenoxy)propanamide
CID 42994672
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 2531414
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 39092880
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 48847769
(2R)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxypropanamide
CID 94816049

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide (CID 55996281) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is COc1ccc(OC)c(-c2csc(NC(=O)C(C(C)C)n3nnc(-c4ccccc4)n3)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is FJMFFHNDAGPRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S/c1-14(2)20(29-27-21(26-28-29)15-8-6-5-7-9-15)22(30)25-23-24-18(13-33-23)17-12-16(31-3)10-11-19(17)32-4/h5-14,20H,1-4H3,(H,24,25,30).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 464.55 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 55996281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).