N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C16H16N6O2S — CID 11717378

IUPACN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1csc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1
InChIInChI=1S/C16H16N6O2S/c1-10-3-4-13(20-11-5-17-9-18-6-11)14(19-10)15(23)22-16-21-12(7-24-2)8-25-16/h3-6,8-9,20H,7H2,1-2H3,(H,21,22,23)
InChIKeyBHFIIDBFPPTCKB-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.78
Rot. Bonds6

About N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 11717378) has the molecular formula C16H16N6O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID11717378
Molecular FormulaC16H16N6O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC NameN-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCOCc1csc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1
InChIInChI=1S/C16H16N6O2S/c1-10-3-4-13(20-11-5-17-9-18-6-11)14(19-10)15(23)22-16-21-12(7-24-2)8-25-16/h3-6,8-9,20H,7H2,1-2H3,(H,21,22,23)
InChIKeyBHFIIDBFPPTCKB-UHFFFAOYSA-N
XLogP2.78
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11645557
[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
6-methyl-3-[(6-methyl-3-pyridinyl)amino]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 11524022
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
CID 99833695
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
6-methyl-3-[(2-methylpyrazol-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 25097157
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154694930
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-5-(pyridin-3-ylamino)-1,3-thiazole-4-carboxamide
CID 91114017
6-methyl-3-[(5-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 69237499
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 11717378) is N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is COCc1csc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1.
What is the InChIKey of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is BHFIIDBFPPTCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2S/c1-10-3-4-13(20-11-5-17-9-18-6-11)14(19-10)15(23)22-16-21-12(7-24-2)8-25-16/h3-6,8-9,20H,7H2,1-2H3,(H,21,22,23).
What are the key properties of N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 11717378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).