N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C12H15N5OS — CID 145312558

IUPACN-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1nc2cncnc2s1
InChIInChI=1S/C12H15N5OS/c18-10(15-5-8-1-3-13-4-2-8)12-17-9-6-14-7-16-11(9)19-12/h6-8,13H,1-5H2,(H,15,18)
InChIKeyVRXLURPVJVYTPH-UHFFFAOYSA-N
MW277.35 g/mol
LogP0.82
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 145312558) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID145312558
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1nc2cncnc2s1
InChIInChI=1S/C12H15N5OS/c18-10(15-5-8-1-3-13-4-2-8)12-17-9-6-14-7-16-11(9)19-12/h6-8,13H,1-5H2,(H,15,18)
InChIKeyVRXLURPVJVYTPH-UHFFFAOYSA-N
XLogP0.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(piperidin-4-ylmethyl)-7H-pyrrolo[3,2-d]pyrimidine-6-carboxamide
CID 166944335
7-[4-fluoro-2-(trifluoromethoxy)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390332
7-[4-methyl-2-(2-methylpropyl)anilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 166944230
N-(piperidin-4-ylmethyl)pyridine-4-carboxamide chloride
CID 53312688
N-[(1-methylpiperidin-4-yl)methyl]-7-methylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 166712221
7-[4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxyanilino]-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 135390485
2,5-dichloro-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 103805410
1,3-dimethyl-N-(piperidin-4-ylmethyl)pyrazole-4-carboxamide
CID 103805401
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 91645277
4-bromo-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide
CID 170181761
4-methyl-N-(piperidin-4-ylmethyl)thiophene-3-carboxamide
CID 79808514
N-(piperidin-4-ylmethyl)-5-(1H-pyrazol-4-yl)furan-2-carboxamide
CID 168890484

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 145312558) is N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is O=C(NCC1CCNCC1)c1nc2cncnc2s1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is VRXLURPVJVYTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c18-10(15-5-8-1-3-13-4-2-8)12-17-9-6-14-7-16-11(9)19-12/h6-8,13H,1-5H2,(H,15,18).
What are the key properties of N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 145312558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).