N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide

C19H25N3O2S — CID 7201799

IUPACN-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCC[C@@H](C)N(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccccc1C
InChIInChI=1S/C19H25N3O2S/c1-6-13(3)22(18(24)16-10-8-7-9-12(16)2)11-17(23)21-19-20-14(4)15(5)25-19/h7-10,13H,6,11H2,1-5H3,(H,20,21,23)/t13-/m1/s1
InChIKeyNIMDWQCXRRPRSF-CYBMUJFWSA-N
MW359.50 g/mol
LogP3.95
Rot. Bonds6

About N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide

N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 7201799) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID7201799
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCC[C@@H](C)N(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccccc1C
InChIInChI=1S/C19H25N3O2S/c1-6-13(3)22(18(24)16-10-8-7-9-12(16)2)11-17(23)21-19-20-14(4)15(5)25-19/h7-10,13H,6,11H2,1-5H3,(H,20,21,23)/t13-/m1/s1
InChIKeyNIMDWQCXRRPRSF-CYBMUJFWSA-N
XLogP3.95
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-phenylprop-2-enamide
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2-[dimethylcarbamoyl(propan-2-yl)amino]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
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3-bromo-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
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CID 4183331
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CID 4302806
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(2-methylphenyl)sulfanylacetamide
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N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
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3,4-dichloro-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-ethylbenzamide
CID 5198515
N-[2-(dimethylamino)ethyl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 3536258
2-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42768895
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide (CID 7201799) is N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide is CC[C@@H](C)N(CC(=O)Nc1nc(C)c(C)s1)C(=O)c1ccccc1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is NIMDWQCXRRPRSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-6-13(3)22(18(24)16-10-8-7-9-12(16)2)11-17(23)21-19-20-14(4)15(5)25-19/h7-10,13H,6,11H2,1-5H3,(H,20,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide?
N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 359.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 7201799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).