N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide

C16H21N3O2S — CID 128967867

IUPACN,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)c1c(C)noc1C
InChIInChI=1S/C16H21N3O2S/c1-9-14(10(2)21-18-9)16(20)19(4)8-12-6-5-7-13-15(12)17-11(3)22-13/h12H,5-8H2,1-4H3
InChIKeyZNZZDEXQSQOMRQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.25
Rot. Bonds3

About N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide

N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide (PubChem CID 128967867) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
PubChem CID128967867
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
SMILESCc1nc2c(s1)CCCC2CN(C)C(=O)c1c(C)noc1C
InChIInChI=1S/C16H21N3O2S/c1-9-14(10(2)21-18-9)16(20)19(4)8-12-6-5-7-13-15(12)17-11(3)22-13/h12H,5-8H2,1-4H3
InChIKeyZNZZDEXQSQOMRQ-UHFFFAOYSA-N
XLogP3.25
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,1,3,5-tetramethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-4-carboxamide
CID 129334416
5-(methoxymethyl)-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 129339212
N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129329818
N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 129001148
N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]thiadiazole-4-carboxamide
CID 128967887
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide
CID 129336298
N-methyl-2-(methylcarbamoylamino)-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]acetamide
CID 129333127
N,1-dimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 129001149
N,2,5-trimethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-3-carboxamide
CID 129328717
4-ethyl-N-methyl-N-[[(4R)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]thiadiazole-5-carboxamide
CID 129330133
4-chloro-N-methyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 129006417
4-ethyl-N-methyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 129327601

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide (CID 128967867) is N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide is Cc1nc2c(s1)CCCC2CN(C)C(=O)c1c(C)noc1C.
What is the InChIKey of N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
The InChIKey is ZNZZDEXQSQOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-9-14(10(2)21-18-9)16(20)19(4)8-12-6-5-7-13-15(12)17-11(3)22-13/h12H,5-8H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide?
N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)methyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 128967867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).