N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide

C18H19N5O3S — CID 99821895

IUPACN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2cn(CC3(C)COC3)nn2)n1
InChIInChI=1S/C18H19N5O3S/c1-18(10-26-11-18)9-23-7-13(21-22-23)16(24)20-17-19-14(8-27-17)12-5-3-4-6-15(12)25-2/h3-8H,9-11H2,1-2H3,(H,19,20,24)
InChIKeyINFBROVWYJZEAH-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.70
Rot. Bonds6

About N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide (PubChem CID 99821895) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
PubChem CID99821895
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC NameN-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide
SMILESCOc1ccccc1-c1csc(NC(=O)c2cn(CC3(C)COC3)nn2)n1
InChIInChI=1S/C18H19N5O3S/c1-18(10-26-11-18)9-23-7-13(21-22-23)16(24)20-17-19-14(8-27-17)12-5-3-4-6-15(12)25-2/h3-8H,9-11H2,1-2H3,(H,19,20,24)
InChIKeyINFBROVWYJZEAH-UHFFFAOYSA-N
XLogP2.70
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]quinoxaline-2-carboxamide
CID 55660760
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CID 12689382
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 4003372
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39207151
1-benzyl-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31772694
trans-(1S,3S)-3-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95859109
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
1-benzyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]triazole-4-carboxamide
CID 31859752
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1H-1,2,4-triazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide (CID 99821895) is N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide is COc1ccccc1-c1csc(NC(=O)c2cn(CC3(C)COC3)nn2)n1.
What is the InChIKey of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide?
The InChIKey is INFBROVWYJZEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-18(10-26-11-18)9-23-7-13(21-22-23)16(24)20-17-19-14(8-27-17)12-5-3-4-6-15(12)25-2/h3-8H,9-11H2,1-2H3,(H,19,20,24).
What are the key properties of N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide?
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-[(3-methyloxetan-3-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 99821895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).