2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

C17H19N5S — CID 138048071

IUPAC2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1nc2c(N3CCC(Cc4cccnc4)CC3)ncnc2s1
InChIInChI=1S/C17H19N5S/c1-12-21-15-16(19-11-20-17(15)23-12)22-7-4-13(5-8-22)9-14-3-2-6-18-10-14/h2-3,6,10-11,13H,4-5,7-9H2,1H3
InChIKeyXHSOUAFTFZGXKC-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.25
Rot. Bonds3

About 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 138048071) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID138048071
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESCc1nc2c(N3CCC(Cc4cccnc4)CC3)ncnc2s1
InChIInChI=1S/C17H19N5S/c1-12-21-15-16(19-11-20-17(15)23-12)22-7-4-13(5-8-22)9-14-3-2-6-18-10-14/h2-3,6,10-11,13H,4-5,7-9H2,1H3
InChIKeyXHSOUAFTFZGXKC-UHFFFAOYSA-N
XLogP3.25
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

4-methyl-6-[(3R)-3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]pyrimidine
CID 124945029
3-[(1-ethylpiperidin-4-yl)methyl]pyridine
CID 95821334
4-(4-benzylpiperidin-1-yl)-6-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 2132383
3-[(1-tert-butylpiperidin-4-yl)methyl]pyridine
CID 121450514
4-(4-benzylpiperidin-1-yl)pyrimidin-5-amine
CID 79918295
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843
[4-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 136519932
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
N-methyl-1-[(3R)-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 129336018
6-[4-(pyridin-3-ylmethyl)piperidin-1-yl]imidazo[1,2-b]pyridazin-2-amine
CID 143620203
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (CID 138048071) is 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is Cc1nc2c(N3CCC(Cc4cccnc4)CC3)ncnc2s1.
What is the InChIKey of 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is XHSOUAFTFZGXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5S/c1-12-21-15-16(19-11-20-17(15)23-12)22-7-4-13(5-8-22)9-14-3-2-6-18-10-14/h2-3,6,10-11,13H,4-5,7-9H2,1H3.
What are the key properties of 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 325.44 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[4-(pyridin-3-ylmethyl)piperidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 138048071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).