2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide

C18H18N6O2S — CID 155517577

IUPAC2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNc1c(C(=O)NCc2ncc(C(=O)NC3CC3)s2)cnn1-c1ccccc1
InChIInChI=1S/C18H18N6O2S/c19-16-13(8-22-24(16)12-4-2-1-3-5-12)17(25)21-10-15-20-9-14(27-15)18(26)23-11-6-7-11/h1-5,8-9,11H,6-7,10,19H2,(H,21,25)(H,23,26)
InChIKeyLFTXLPYHWCSFSL-UHFFFAOYSA-N
MW382.45 g/mol
LogP1.73
Rot. Bonds6

About 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide

2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide (PubChem CID 155517577) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide
PubChem CID155517577
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide
SMILESNc1c(C(=O)NCc2ncc(C(=O)NC3CC3)s2)cnn1-c1ccccc1
InChIInChI=1S/C18H18N6O2S/c19-16-13(8-22-24(16)12-4-2-1-3-5-12)17(25)21-10-15-20-9-14(27-15)18(26)23-11-6-7-11/h1-5,8-9,11H,6-7,10,19H2,(H,21,25)(H,23,26)
InChIKeyLFTXLPYHWCSFSL-UHFFFAOYSA-N
XLogP1.73
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S,4R)-4-cyano-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 90343584
1-[(3S,4R)-4-cyano-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 90348934
N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155514077
N-[(2S)-1-amino-5-methyl-1-oxohexan-2-yl]-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155524399
N-[(2S)-1-amino-4-cyclohexyl-1-oxobutan-2-yl]-2-[[(1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155546292
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrazole-4-carboxamide
CID 56836261
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836328
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[2-[2-(dimethylamino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]pyrazole-4-carboxamide
CID 56836331
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-benzyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836332
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(1,3-benzothiazol-2-ylmethyl)pyrazole-4-carboxamide
CID 66723764
1-[(3R,4R)-3-cyano-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluoroanilino)pyrazole-4-carboxamide
CID 90343409
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-1,3-thiazole-5-carboxamide
CID 155523988

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide (CID 155517577) is 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide is Nc1c(C(=O)NCc2ncc(C(=O)NC3CC3)s2)cnn1-c1ccccc1.
What is the InChIKey of 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
The InChIKey is LFTXLPYHWCSFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c19-16-13(8-22-24(16)12-4-2-1-3-5-12)17(25)21-10-15-20-9-14(27-15)18(26)23-11-6-7-11/h1-5,8-9,11H,6-7,10,19H2,(H,21,25)(H,23,26).
What are the key properties of 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide?
2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-amino-1-phenylpyrazole-4-carbonyl)amino]methyl]-N-cyclopropyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155517577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).