2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C19H23N5OS — CID 22196371

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN(C)Cc3cnn(C)c3C)n2)cc1
InChIInChI=1S/C19H23N5OS/c1-13-5-7-15(8-6-13)17-12-26-19(21-17)22-18(25)11-23(3)10-16-9-20-24(4)14(16)2/h5-9,12H,10-11H2,1-4H3,(H,21,22,25)
InChIKeyBYTMOOGYCAQMRO-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.23
Rot. Bonds6

About 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 22196371) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID22196371
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(NC(=O)CN(C)Cc3cnn(C)c3C)n2)cc1
InChIInChI=1S/C19H23N5OS/c1-13-5-7-15(8-6-13)17-12-26-19(21-17)22-18(25)11-23(3)10-16-9-20-24(4)14(16)2/h5-9,12H,10-11H2,1-4H3,(H,21,22,25)
InChIKeyBYTMOOGYCAQMRO-UHFFFAOYSA-N
XLogP3.23
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 17378412
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214678
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[(1-ethylpyrazol-4-yl)methyl-methylamino]acetamide
CID 22194213
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
2-(4-methylphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 43951124
2-[methyl-[(4-methylphenyl)methyl]amino]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 24593968
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 24594736
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 24560992
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 110906790
2-(2,6-dichlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7948094

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 22196371) is 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(NC(=O)CN(C)Cc3cnn(C)c3C)n2)cc1.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BYTMOOGYCAQMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-5-7-15(8-6-13)17-12-26-19(21-17)22-18(25)11-23(3)10-16-9-20-24(4)14(16)2/h5-9,12H,10-11H2,1-4H3,(H,21,22,25).
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 22196371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).