N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

C19H18N8OS — CID 158549212

IUPACN-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cncs1
InChIInChI=1S/C19H18N8OS/c1-12-13(7-22-18(28)17-9-20-11-29-17)3-4-15(24-12)16-5-6-21-19(26-16)25-14-8-23-27(2)10-14/h3-6,8-11H,7H2,1-2H3,(H,22,28)(H,21,25,26)
InChIKeyHPMSOXUHSCFMKX-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.71
Rot. Bonds6

About N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide

N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 158549212) has the molecular formula C19H18N8OS and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID158549212
Molecular FormulaC19H18N8OS
Molecular Weight406.48 g/mol
Exact Mass406.13
IUPAC NameN-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cncs1
InChIInChI=1S/C19H18N8OS/c1-12-13(7-22-18(28)17-9-20-11-29-17)3-4-15(24-12)16-5-6-21-19(26-16)25-14-8-23-27(2)10-14/h3-6,8-11H,7H2,1-2H3,(H,22,28)(H,21,25,26)
InChIKeyHPMSOXUHSCFMKX-UHFFFAOYSA-N
XLogP2.71
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide
CID 159502180
1-(2-tert-butyl-1,3-thiazol-5-yl)-3-[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]propan-1-one
CID 147321086
4-[5-[(2-tert-butyl-2H-1,3-thiazol-3-yl)methyl]-6-methyl-2-pyridinyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 150135751
1-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 118139627
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 118139723
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide
CID 140917821
1-(1-bicyclo[2.2.2]octanyl)-3-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]urea
CID 118139529
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
4-[4-[(chloroamino)methyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 122650813
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
2-tert-butyl-N-[[2-methyl-4-[2-[[1-[(3R)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
CID 118139794
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide (CID 158549212) is N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)c1cncs1.
What is the InChIKey of N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is HPMSOXUHSCFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8OS/c1-12-13(7-22-18(28)17-9-20-11-29-17)3-4-15(24-12)16-5-6-21-19(26-16)25-14-8-23-27(2)10-14/h3-6,8-11H,7H2,1-2H3,(H,22,28)(H,21,25,26).
What are the key properties of N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide?
N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 158549212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).