N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C14H19N5OS2 — CID 166712221

IUPACN-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCSc1ncnc2sc(C(=O)NCC3CCN(C)CC3)nc12
InChIInChI=1S/C14H19N5OS2/c1-19-5-3-9(4-6-19)7-15-11(20)14-18-10-12(21-2)16-8-17-13(10)22-14/h8-9H,3-7H2,1-2H3,(H,15,20)
InChIKeyYVIXWQBTFSRBEQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.88
Rot. Bonds4

About N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 166712221) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID166712221
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC NameN-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCSc1ncnc2sc(C(=O)NCC3CCN(C)CC3)nc12
InChIInChI=1S/C14H19N5OS2/c1-19-5-3-9(4-6-19)7-15-11(20)14-18-10-12(21-2)16-8-17-13(10)22-14/h8-9H,3-7H2,1-2H3,(H,15,20)
InChIKeyYVIXWQBTFSRBEQ-UHFFFAOYSA-N
XLogP1.88
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 166712221) is N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CSc1ncnc2sc(C(=O)NCC3CCN(C)CC3)nc12.
What is the InChIKey of N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is YVIXWQBTFSRBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-19-5-3-9(4-6-19)7-15-11(20)14-18-10-12(21-2)16-8-17-13(10)22-14/h8-9H,3-7H2,1-2H3,(H,15,20).
What are the key properties of N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 166712221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).