N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C18H20N6O2S — CID 11326593

IUPACN-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnc(NC(C)C)s1
InChIInChI=1S/C18H20N6O2S/c1-10(2)21-18-19-9-14(27-18)17(26)22-13-8-12(5-4-11(13)3)16(25)23-15-6-7-20-24-15/h4-10H,1-3H3,(H,19,21)(H,22,26)(H2,20,23,24,25)
InChIKeyQYSRTLVDKVDMSP-UHFFFAOYSA-N
MW384.47 g/mol
LogP3.50
Rot. Bonds6

About N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 11326593) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID11326593
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnc(NC(C)C)s1
InChIInChI=1S/C18H20N6O2S/c1-10(2)21-18-19-9-14(27-18)17(26)22-13-8-12(5-4-11(13)3)16(25)23-15-6-7-20-24-15/h4-10H,1-3H3,(H,19,21)(H,22,26)(H2,20,23,24,25)
InChIKeyQYSRTLVDKVDMSP-UHFFFAOYSA-N
XLogP3.50
TPSA111.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylpiperazin-1-yl)-N-[5-[4-[(5-methyl-1,3-thiazol-2-yl)carbamoylamino]phenyl]-1H-pyrazol-3-yl]benzamide
CID 71658864
2-(isopropylamino)-N-(2-methyl-5-((1-methyl-1H-pyrazol-5-yl)carbamoyl)phenyl)thiazole-5-carboxamide
CID 11395429
N-(1-{1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24792925
1-(3-methylphenyl)-5-piperidin-4-yl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 20924009
N-[(4-aminophenyl)methyl]-3-(2-methylpropyl)-1-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 134140757
US20250145606, Example 119
CID 176306558
US20250145606, Example 162
CID 176306600
US20250145606, Example 255
CID 176306615
US20250145606, Example 179
CID 176306621
US20250145606, Example 158
CID 176306622
US20250145606, Example 35
CID 176306633
US20250145606, Example 132
CID 176306634

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 11326593) is N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is Cc1ccc(C(=O)Nc2ccn[nH]2)cc1NC(=O)c1cnc(NC(C)C)s1.
What is the InChIKey of N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is QYSRTLVDKVDMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-10(2)21-18-19-9-14(27-18)17(26)22-13-8-12(5-4-11(13)3)16(25)23-15-6-7-20-24-15/h4-10H,1-3H3,(H,19,21)(H,22,26)(H2,20,23,24,25).
What are the key properties of N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 384.47 g/mol, XLogP of 3.50, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11326593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).