prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate

C18H17N5O3S — CID 108793434

IUPACprop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)c2cnn(-c3ccccn3)c2C)nc1C
InChIInChI=1S/C18H17N5O3S/c1-4-9-26-17(25)15-11(2)21-18(27-15)22-16(24)13-10-20-23(12(13)3)14-7-5-6-8-19-14/h4-8,10H,1,9H2,2-3H3,(H,21,22,24)
InChIKeyTWZVMEGVHABEHH-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.94
Rot. Bonds6

About prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate

prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 108793434) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID108793434
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Nameprop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESC=CCOC(=O)c1sc(NC(=O)c2cnn(-c3ccccn3)c2C)nc1C
InChIInChI=1S/C18H17N5O3S/c1-4-9-26-17(25)15-11(2)21-18(27-15)22-16(24)13-10-20-23(12(13)3)14-7-5-6-8-19-14/h4-8,10H,1,9H2,2-3H3,(H,21,22,24)
InChIKeyTWZVMEGVHABEHH-UHFFFAOYSA-N
XLogP2.94
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39102158
N-(6-ethyl-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39092966
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804234
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108739126
ethyl 5-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1-quinolin-2-ylpyrazole-4-carboxylate
CID 108746974
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108738299
prop-2-enyl 4-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 110441503
N-(3-ethylphenyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 15944134
prop-2-enyl 4-methyl-2-(propanoylamino)-1,3-thiazole-5-carboxylate
CID 110441292

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 108793434) is prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is C=CCOC(=O)c1sc(NC(=O)c2cnn(-c3ccccn3)c2C)nc1C.
What is the InChIKey of prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is TWZVMEGVHABEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-4-9-26-17(25)15-11(2)21-18(27-15)22-16(24)13-10-20-23(12(13)3)14-7-5-6-8-19-14/h4-8,10H,1,9H2,2-3H3,(H,21,22,24).
What are the key properties of prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate?
prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 108793434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).