N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H19N5O2S — CID 92598532

IUPACN-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1ccc(-c2[nH]ncc2C(=O)N(C)C)cc1
InChIInChI=1S/C18H19N5O2S/c1-11-16(26-10-20-11)17(24)19-8-12-4-6-13(7-5-12)15-14(9-21-22-15)18(25)23(2)3/h4-7,9-10H,8H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyQITLZTJOSDDOAW-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.47
Rot. Bonds5

About N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 92598532) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID92598532
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCc1ccc(-c2[nH]ncc2C(=O)N(C)C)cc1
InChIInChI=1S/C18H19N5O2S/c1-11-16(26-10-20-11)17(24)19-8-12-4-6-13(7-5-12)15-14(9-21-22-15)18(25)23(2)3/h4-7,9-10H,8H2,1-3H3,(H,19,24)(H,21,22)
InChIKeyQITLZTJOSDDOAW-UHFFFAOYSA-N
XLogP2.47
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 92598532) is N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCc1ccc(-c2[nH]ncc2C(=O)N(C)C)cc1.
What is the InChIKey of N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is QITLZTJOSDDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-16(26-10-20-11)17(24)19-8-12-4-6-13(7-5-12)15-14(9-21-22-15)18(25)23(2)3/h4-7,9-10H,8H2,1-3H3,(H,19,24)(H,21,22).
What are the key properties of N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(dimethylcarbamoyl)-1H-pyrazol-5-yl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 92598532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).