N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

C12H15N3O2S — CID 47209103

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C12H15N3O2S/c1-7-10(9(3)17-14-7)5-15(4)12(16)11-8(2)13-6-18-11/h6H,5H2,1-4H3
InChIKeyBYJFZKOKDCSSRX-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.33
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47209103) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID47209103
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)Cc1c(C)noc1C
InChIInChI=1S/C12H15N3O2S/c1-7-10(9(3)17-14-7)5-15(4)12(16)11-8(2)13-6-18-11/h6H,5H2,1-4H3
InChIKeyBYJFZKOKDCSSRX-UHFFFAOYSA-N
XLogP2.33
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 103907755
N-[(2-aminophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43383805
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47209048
2-butyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 75461115
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
N-(3-amino-2,2-dimethylpropyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 79652972
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylprop-2-enamide
CID 60949726
6-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 48675917
N,4-dimethyl-N-[(2R)-4-methylpentan-2-yl]-1,3-thiazole-5-carboxamide
CID 94112886
2,5-dibromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 114371641

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 47209103) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)Cc1c(C)noc1C.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BYJFZKOKDCSSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-7-10(9(3)17-14-7)5-15(4)12(16)11-8(2)13-6-18-11/h6H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47209103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).