2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

C19H21N5O2S2 — CID 51044205

IUPAC2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1
InChIInChI=1S/C19H21N5O2S2/c1-11(2)17-22-23-18(28-17)21-16(26)15-12(3)20-19(27-15)24(13(4)25)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H,21,23,26)
InChIKeyFRAIQJANHKZIDN-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.23
Rot. Bonds6

About 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide

2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51044205) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID51044205
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1
InChIInChI=1S/C19H21N5O2S2/c1-11(2)17-22-23-18(28-17)21-16(26)15-12(3)20-19(27-15)24(13(4)25)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H,21,23,26)
InChIKeyFRAIQJANHKZIDN-UHFFFAOYSA-N
XLogP4.23
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[acetyl(benzyl)amino]-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51043963
2-[acetyl(benzyl)amino]-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51044326
2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51049231
2-[acetyl(benzyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048692
2-[acetyl(furan-2-ylmethyl)amino]-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 51049352
ethyl 2-[benzyl(2-phenylsulfanylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55478595
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939048
ethyl 2-[benzyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55493868
3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47233955
4-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 19225847
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-[acetyl(3-methylbutyl)amino]-4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 51972966

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 51044205) is 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(=O)N(Cc1ccccc1)c1nc(C)c(C(=O)Nc2nnc(C(C)C)s2)s1.
What is the InChIKey of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is FRAIQJANHKZIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-11(2)17-22-23-18(28-17)21-16(26)15-12(3)20-19(27-15)24(13(4)25)10-14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3,(H,21,23,26).
What are the key properties of 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(benzyl)amino]-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51044205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).