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

C16H19N3O2S — CID 138021751

IUPAC2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)NC1(c2ccccc2)COC1
InChIInChI=1S/C16H19N3O2S/c1-11-13(22-15(17-11)19(2)3)14(20)18-16(9-21-10-16)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyVGVCJFDGDZWOIW-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.17
Rot. Bonds4

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

2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 138021751) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID138021751
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(N(C)C)sc1C(=O)NC1(c2ccccc2)COC1
InChIInChI=1S/C16H19N3O2S/c1-11-13(22-15(17-11)19(2)3)14(20)18-16(9-21-10-16)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,18,20)
InChIKeyVGVCJFDGDZWOIW-UHFFFAOYSA-N
XLogP2.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
4-fluoro-N-(3-phenyloxetan-3-yl)benzamide
CID 139015652
2-(dimethylamino)-4-methyl-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-1,3-thiazole-5-carboxamide
CID 91206014
4-methyl-N-(1-phenylcyclopropyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 56784837
2-(dimethylamino)-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 75437740
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(dimethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 75396049
N-[1-(4-fluorophenyl)cyclopentyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 16674468
5-chloro-N-(3-phenyloxetan-3-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118425281
3-methyl-5-[(3-phenyloxan-3-yl)carbamoyl]thiophene-2-carboxylic acid
CID 167932760
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide (CID 138021751) is 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(N(C)C)sc1C(=O)NC1(c2ccccc2)COC1.
What is the InChIKey of 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VGVCJFDGDZWOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11-13(22-15(17-11)19(2)3)14(20)18-16(9-21-10-16)12-7-5-4-6-8-12/h4-8H,9-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide?
2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methyl-N-(3-phenyloxetan-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 138021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).