N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C19H22N6O2S — CID 11395429

IUPACN-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnc(NC(C)C)s1
InChIInChI=1S/C19H22N6O2S/c1-11(2)22-19-20-10-15(28-19)18(27)23-14-9-13(6-5-12(14)3)17(26)24-16-7-8-21-25(16)4/h5-11H,1-4H3,(H,20,22)(H,23,27)(H,24,26)
InChIKeyGGZLVZQLKRUGGD-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.51
Rot. Bonds6

About N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11395429) has the molecular formula C19H22N6O2S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID11395429
Molecular FormulaC19H22N6O2S
Molecular Weight398.49 g/mol
Exact Mass398.15
IUPAC NameN-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnc(NC(C)C)s1
InChIInChI=1S/C19H22N6O2S/c1-11(2)22-19-20-10-15(28-19)18(27)23-14-9-13(6-5-12(14)3)17(26)24-16-7-8-21-25(16)4/h5-11H,1-4H3,(H,20,22)(H,23,27)(H,24,26)
InChIKeyGGZLVZQLKRUGGD-UHFFFAOYSA-N
XLogP3.51
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-(pyridazin-3-ylamino)-1,3-thiazole-5-carboxamide
CID 21911645
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(((1R)-1-methylpropyl)amino)-1,3-thiazole-5-carboxamide
CID 11427975
2-(isopropylamino)-N-(5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl)thiazole-5-carboxamide
CID 11417763
2-(isopropylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl)thiazole-5-carboxamide
CID 11256035
5-amino-N-(5-(1-ethyl-1H-pyrazol-5-ylcarbamoyl)-2-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52941332
5-amino-1-butyl-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52942431
5-amino-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 52944927
6-(ethylcarbamoylamino)-4-(3-methylanilino)-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 71623039
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
N-(2-methyl-5-(methylcarbamoyl)phenyl)-2-(propylamino)thiazole-5-carboxamide
CID 11186612
(S)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl)thiazole-5-carboxamide
CID 11268003
N-(5-((1H-pyrazol-5-yl)carbamoyl)-2-methylphenyl)-2-(isopropylamino)thiazole-5-carboxamide
CID 11326593

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 11395429) is N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnc(NC(C)C)s1.
What is the InChIKey of N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GGZLVZQLKRUGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2S/c1-11(2)22-19-20-10-15(28-19)18(27)23-14-9-13(6-5-12(14)3)17(26)24-16-7-8-21-25(16)4/h5-11H,1-4H3,(H,20,22)(H,23,27)(H,24,26).
What are the key properties of N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 398.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2-methylpyrazol-3-yl)carbamoyl]phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11395429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).