4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide

C18H15N7OS — CID 122290710

IUPAC4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C18H15N7OS/c1-12-17(27-11-21-12)18(26)24-14-5-3-13(4-6-14)23-15-9-16(20-10-19-15)25-8-2-7-22-25/h2-11H,1H3,(H,24,26)(H,19,20,23)
InChIKeyADDSPYSLWQFNHO-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.42
Rot. Bonds5

About 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 122290710) has the molecular formula C18H15N7OS and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
PubChem CID122290710
Molecular FormulaC18H15N7OS
Molecular Weight377.43 g/mol
Exact Mass377.11
IUPAC Name4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1
InChIInChI=1S/C18H15N7OS/c1-12-17(27-11-21-12)18(26)24-14-5-3-13(4-6-14)23-15-9-16(20-10-19-15)25-8-2-7-22-25/h2-11H,1H3,(H,24,26)(H,19,20,23)
InChIKeyADDSPYSLWQFNHO-UHFFFAOYSA-N
XLogP3.42
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122291920
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122290696
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122290654
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122290660
3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290727
1-(1,3-benzodioxol-5-yl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121073012
(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide
CID 122290663

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide (CID 122290710) is 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1.
What is the InChIKey of 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ADDSPYSLWQFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7OS/c1-12-17(27-11-21-12)18(26)24-14-5-3-13(4-6-14)23-15-9-16(20-10-19-15)25-8-2-7-22-25/h2-11H,1H3,(H,24,26)(H,19,20,23).
What are the key properties of 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122290710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).