2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide

C14H15N3OS — CID 110465368

IUPAC2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc3c(c2)CN(C)C3)cs1
InChIInChI=1S/C14H15N3OS/c1-9-15-13(8-19-9)14(18)16-12-4-3-10-6-17(2)7-11(10)5-12/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyNCGDRBDXTRSFTD-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.65
Rot. Bonds2

About 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide

2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 110465368) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID110465368
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccc3c(c2)CN(C)C3)cs1
InChIInChI=1S/C14H15N3OS/c1-9-15-13(8-19-9)14(18)16-12-4-3-10-6-17(2)7-11(10)5-12/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyNCGDRBDXTRSFTD-UHFFFAOYSA-N
XLogP2.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 65199836
N-(4-amino-3-chlorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 82861418
2-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 110465342
2-methyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-thiazole-4-carboxamide
CID 47445064
N-(2-methyl-1,3-dihydroisoindol-5-yl)-1H-imidazole-2-carboxamide
CID 110466521
N-(2-methoxyquinolin-6-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 86883645
N-(3-ethynylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47443678
2-methyl-2-[4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 80549406
3-amino-N-(2-methyl-1,3-dihydroisoindol-5-yl)propanamide
CID 110460211
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
N-[4-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 57124041
5-hydroxy-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]benzoic acid
CID 65199858

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide (CID 110465368) is 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2ccc3c(c2)CN(C)C3)cs1.
What is the InChIKey of 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NCGDRBDXTRSFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-15-13(8-19-9)14(18)16-12-4-3-10-6-17(2)7-11(10)5-12/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide?
2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 273.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-1,3-dihydroisoindol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).