N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

C20H21N7O3S — CID 97070699

IUPACN-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N[C@@H](c3nc(-c4ncn[nH]4)no3)C(C)(C)C)cs2)cc1
InChIInChI=1S/C20H21N7O3S/c1-20(2,3)14(18-25-16(27-30-18)15-21-10-22-26-15)24-17(28)13-9-31-19(23-13)11-5-7-12(29-4)8-6-11/h5-10,14H,1-4H3,(H,24,28)(H,21,22,26)/t14-/m0/s1
InChIKeyCWFAZULDNRFEJI-AWEZNQCLSA-N
MW439.50 g/mol
LogP3.50
Rot. Bonds6

About N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide

N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 97070699) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
PubChem CID97070699
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC NameN-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)N[C@@H](c3nc(-c4ncn[nH]4)no3)C(C)(C)C)cs2)cc1
InChIInChI=1S/C20H21N7O3S/c1-20(2,3)14(18-25-16(27-30-18)15-21-10-22-26-15)24-17(28)13-9-31-19(23-13)11-5-7-12(29-4)8-6-11/h5-10,14H,1-4H3,(H,24,28)(H,21,22,26)/t14-/m0/s1
InChIKeyCWFAZULDNRFEJI-AWEZNQCLSA-N
XLogP3.50
TPSA131.71 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
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CID 121238616
N-[(1S)-2-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-4-propoxybenzamide
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2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 18230190
2-(4-methoxyphenyl)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 51256063
methyl 2-[2-[[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 170970129
N-ethyl-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42656610
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N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
2-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86825779
(3S)-N-[(1S)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 97077379
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide (CID 97070699) is N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)N[C@@H](c3nc(-c4ncn[nH]4)no3)C(C)(C)C)cs2)cc1.
What is the InChIKey of N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is CWFAZULDNRFEJI-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-20(2,3)14(18-25-16(27-30-18)15-21-10-22-26-15)24-17(28)13-9-31-19(23-13)11-5-7-12(29-4)8-6-11/h5-10,14H,1-4H3,(H,24,28)(H,21,22,26)/t14-/m0/s1.
What are the key properties of N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide?
N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 439.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 97070699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).