N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

C16H19N3O2S — CID 813342

IUPACN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCc1cnc(NC(=O)CN(C(=O)c2ccccc2)C(C)C)s1
InChIInChI=1S/C16H19N3O2S/c1-11(2)19(15(21)13-7-5-4-6-8-13)10-14(20)18-16-17-9-12(3)22-16/h4-9,11H,10H2,1-3H3,(H,17,18,20)
InChIKeyDEGKXTBPBLWTJQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.94
Rot. Bonds5

About N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide

N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 813342) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID813342
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCc1cnc(NC(=O)CN(C(=O)c2ccccc2)C(C)C)s1
InChIInChI=1S/C16H19N3O2S/c1-11(2)19(15(21)13-7-5-4-6-8-13)10-14(20)18-16-17-9-12(3)22-16/h4-9,11H,10H2,1-3H3,(H,17,18,20)
InChIKeyDEGKXTBPBLWTJQ-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5079917
4-bromo-N-butan-2-yl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4186691
N-butan-2-yl-4-hexyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 42663876
2-chloro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-nitro-N-propan-2-ylbenzamide
CID 4668277
N-[4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]benzamide
CID 39768880
2-[2-[[2-[benzoyl(propan-2-yl)amino]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 7361431
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 37018718
N-[2-oxo-2-[[4-[2-oxo-2-(1-phenylethylamino)ethyl]-1,3-thiazol-2-yl]amino]ethyl]-N-propan-2-ylbenzamide
CID 3502903
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
3-chloro-N-(cyclopropylmethyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4559201
2-[3-methylbutyl-(2-phenylsulfanylacetyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4583830

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 813342) is N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is Cc1cnc(NC(=O)CN(C(=O)c2ccccc2)C(C)C)s1.
What is the InChIKey of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is DEGKXTBPBLWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(2)19(15(21)13-7-5-4-6-8-13)10-14(20)18-16-17-9-12(3)22-16/h4-9,11H,10H2,1-3H3,(H,17,18,20).
What are the key properties of N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide?
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 317.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 813342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).