N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C19H23N5OS — CID 56902393

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C19H23N5OS/c1-13-17(14(2)24(22-13)16-8-6-5-7-9-16)10-18(25)20-11-15-12-26-19(21-15)23(3)4/h5-9,12H,10-11H2,1-4H3,(H,20,25)
InChIKeyBUKYVELLLGRDJM-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.87
Rot. Bonds6

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 56902393) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID56902393
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1csc(N(C)C)n1
InChIInChI=1S/C19H23N5OS/c1-13-17(14(2)24(22-13)16-8-6-5-7-9-16)10-18(25)20-11-15-12-26-19(21-15)23(3)4/h5-9,12H,10-11H2,1-4H3,(H,20,25)
InChIKeyBUKYVELLLGRDJM-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 9206139
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 134014092
N-[(4-bromophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106227
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-prop-2-ynylacetamide
CID 46418937
CID 89224809
CID 89224809
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(furan-2-ylmethyl)acetamide
CID 9034424
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 134014073
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78810073
N-[(4-cyanophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 25106481
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143283
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 25106305
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9377721

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 56902393) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1csc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is BUKYVELLLGRDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-13-17(14(2)24(22-13)16-8-6-5-7-9-16)10-18(25)20-11-15-12-26-19(21-15)23(3)4/h5-9,12H,10-11H2,1-4H3,(H,20,25).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 56902393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).