N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide

C11H11N5OS — CID 102922199

IUPACN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CNCC2)c1cncnc1
InChIInChI=1S/C11H11N5OS/c17-10(7-3-13-6-14-4-7)16-11-15-8-1-2-12-5-9(8)18-11/h3-4,6,12H,1-2,5H2,(H,15,16,17)
InChIKeyQTHNDHIEIQRRQR-UHFFFAOYSA-N
MW261.31 g/mol
LogP0.83
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide

N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide (PubChem CID 102922199) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
PubChem CID102922199
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC NameN-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CNCC2)c1cncnc1
InChIInChI=1S/C11H11N5OS/c17-10(7-3-13-6-14-4-7)16-11-15-8-1-2-12-5-9(8)18-11/h3-4,6,12H,1-2,5H2,(H,15,16,17)
InChIKeyQTHNDHIEIQRRQR-UHFFFAOYSA-N
XLogP0.83
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiadiazole-5-carboxamide
CID 43593229
4-nitro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593216
2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 65199010
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 43593340
2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide
CID 43593297
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
3-bromo-4-methoxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 61033825
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 63105367
2,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
CID 66128632
methyl 3-nitro-5-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-ylcarbamoyl)benzoate
CID 166194824
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide (CID 102922199) is N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide is O=C(Nc1nc2c(s1)CNCC2)c1cncnc1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide?
The InChIKey is QTHNDHIEIQRRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c17-10(7-3-13-6-14-4-7)16-11-15-8-1-2-12-5-9(8)18-11/h3-4,6,12H,1-2,5H2,(H,15,16,17).
What are the key properties of N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide?
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide has a molecular weight of 261.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 102922199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).