5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

C15H18FN5O2S — CID 134709746

IUPAC5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(N)=O)c(NC(=O)C(c2ccccc2F)N(C)C)s1
InChIInChI=1S/C15H18FN5O2S/c1-18-15-19-10(12(17)22)14(24-15)20-13(23)11(21(2)3)8-6-4-5-7-9(8)16/h4-7,11H,1-3H3,(H2,17,22)(H,18,19)(H,20,23)
InChIKeyWCMXXHNHANLGLE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.66
Rot. Bonds6

About 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 134709746) has the molecular formula C15H18FN5O2S and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
PubChem CID134709746
Molecular FormulaC15H18FN5O2S
Molecular Weight351.41 g/mol
Exact Mass351.12
IUPAC Name5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(N)=O)c(NC(=O)C(c2ccccc2F)N(C)C)s1
InChIInChI=1S/C15H18FN5O2S/c1-18-15-19-10(12(17)22)14(24-15)20-13(23)11(21(2)3)8-6-4-5-7-9(8)16/h4-7,11H,1-3H3,(H2,17,22)(H,18,19)(H,20,23)
InChIKeyWCMXXHNHANLGLE-UHFFFAOYSA-N
XLogP1.66
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(2S)-2-(dimethylamino)-3-phenylpropanoyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
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CID 26722551
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
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(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
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(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
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CID 98309633
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
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(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 134709746) is 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is CNc1nc(C(N)=O)c(NC(=O)C(c2ccccc2F)N(C)C)s1.
What is the InChIKey of 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is WCMXXHNHANLGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2S/c1-18-15-19-10(12(17)22)14(24-15)20-13(23)11(21(2)3)8-6-4-5-7-9(8)16/h4-7,11H,1-3H3,(H2,17,22)(H,18,19)(H,20,23).
What are the key properties of 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?
5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134709746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).