3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide

C18H21N5O2S — CID 25271135

IUPAC3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)N(C)C)s/c(=N/c2ccc(-n3cccn3)cc2)n1CCO
InChIInChI=1S/C18H21N5O2S/c1-13-16(17(25)21(2)3)26-18(22(13)11-12-24)20-14-5-7-15(8-6-14)23-10-4-9-19-23/h4-10,24H,11-12H2,1-3H3/b20-18+
InChIKeyVQZSUKNUJXKWOA-CZIZESTLSA-N
MW371.47 g/mol
LogP1.97
Rot. Bonds5

About 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide

3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide (PubChem CID 25271135) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide
PubChem CID25271135
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide
SMILESCc1c(C(=O)N(C)C)s/c(=N/c2ccc(-n3cccn3)cc2)n1CCO
InChIInChI=1S/C18H21N5O2S/c1-13-16(17(25)21(2)3)26-18(22(13)11-12-24)20-14-5-7-15(8-6-14)23-10-4-9-19-23/h4-10,24H,11-12H2,1-3H3/b20-18+
InChIKeyVQZSUKNUJXKWOA-CZIZESTLSA-N
XLogP1.97
TPSA75.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(5-acetyl-3,4-dimethyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide;N-[4-[(5-acetyl-3-ethyl-4-methyl-1,3-thiazol-2-ylidene)amino]phenyl]acetamide;3-[2-[3-(2-hydroxyethyl)-4-methyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazol-5-yl]-2-oxoethyl]-2H-1,3-thiazole-5-carboxamide
CID 87664887
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
4-pyrazol-1-ylbenzoate
CID 5158283
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
2-methyl-2-[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]propanoic acid
CID 119200590
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
5-[4-(2-methyl-4-pyrazol-1-ylphenyl)triazol-1-yl]pentan-1-ol
CID 72868859
N,N-dimethyl-3-[[N'-methyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111863731
1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608922
1-ethyl-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazole-4-carboxamide
CID 19477921
2-[3,5-dimethyl-4-[(4-pyrazol-1-ylanilino)methyl]pyrazol-1-yl]ethanol
CID 110905750
4-methyl-2-(5-methylfuran-2-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 38473712

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide (CID 25271135) is 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide is Cc1c(C(=O)N(C)C)s/c(=N/c2ccc(-n3cccn3)cc2)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide?
The InChIKey is VQZSUKNUJXKWOA-CZIZESTLSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-13-16(17(25)21(2)3)26-18(22(13)11-12-24)20-14-5-7-15(8-6-14)23-10-4-9-19-23/h4-10,24H,11-12H2,1-3H3/b20-18+.
What are the key properties of 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide?
3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide has a molecular weight of 371.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N,N,4-trimethyl-2-(4-pyrazol-1-ylphenyl)imino-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25271135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).