2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

C16H18N6OS — CID 71789832

IUPAC2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)s1
InChIInChI=1S/C16H18N6OS/c1-8-9(2)21-22(11(8)4)16-17-6-13(7-18-16)20-15(23)14-10(3)19-12(5)24-14/h6-7H,1-5H3,(H,20,23)
InChIKeyGWORYHFKGKNBLB-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.91
Rot. Bonds3

About 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71789832) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID71789832
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)s1
InChIInChI=1S/C16H18N6OS/c1-8-9(2)21-22(11(8)4)16-17-6-13(7-18-16)20-15(23)14-10(3)19-12(5)24-14/h6-7H,1-5H3,(H,20,23)
InChIKeyGWORYHFKGKNBLB-UHFFFAOYSA-N
XLogP2.91
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-methyl-N-(2-(3,4,5-trimethyl-1H-pyrazol-1-yl)pyrimidin-5-yl)-1,2,3-thiadiazole-5-carboxamide
CID 71789831
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 51353373
2-[2-(3-Fluoropiperidin-1-yl)pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475138
2-[2-[(3S)-3-fluoropiperidin-1-yl]pyrimidin-5-yl]-5-(1-methylpyrazol-4-yl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475144
(4-(6-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)(2,4-dimethylthiazol-5-yl)methanone
CID 45502407
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 56873971
1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 56875812
N-(2-(1H-pyrazol-1-yl)pyrimidin-5-yl)-2,4-dimethylthiazole-5-carboxamide
CID 71789789
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)pyrimidin-5-yl)-4-methyl-2-phenylthiazole-5-carboxamide
CID 71789817
N-[2-(5-cyclopropyl-3-methylpyrazol-1-yl)pyrimidin-5-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 58242990
4-Pyrimidinecarboxamide,2-amino-n-[(1,5-dimethyl-1h-pyrazol-4-yl)methyl]-6-(4-methyl-2-thiazolyl)-
CID 59022881
4-Pyrimidinecarboxamide,2-amino-n-[(1,3-dimethyl-1h-pyrazol-4-yl)methyl]-6-(4-methyl-2-thiazolyl)-
CID 59022916

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide (CID 71789832) is 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cnc(-n3nc(C)c(C)c3C)nc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is GWORYHFKGKNBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-8-9(2)21-22(11(8)4)16-17-6-13(7-18-16)20-15(23)14-10(3)19-12(5)24-14/h6-7H,1-5H3,(H,20,23).
What are the key properties of 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71789832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).