N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

C19H23N5O2S — CID 90527367

IUPACN-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CC1CCCCC1)CC2)c1cnccn1
InChIInChI=1S/C19H23N5O2S/c25-17(10-13-4-2-1-3-5-13)24-9-6-14-16(12-24)27-19(22-14)23-18(26)15-11-20-7-8-21-15/h7-8,11,13H,1-6,9-10,12H2,(H,22,23,26)
InChIKeyHZCQHZGGHSEIJV-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.04
Rot. Bonds4

About N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide

N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (PubChem CID 90527367) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
PubChem CID90527367
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
SMILESO=C(Nc1nc2c(s1)CN(C(=O)CC1CCCCC1)CC2)c1cnccn1
InChIInChI=1S/C19H23N5O2S/c25-17(10-13-4-2-1-3-5-13)24-9-6-14-16(12-24)27-19(22-14)23-18(26)15-11-20-7-8-21-15/h7-8,11,13H,1-6,9-10,12H2,(H,22,23,26)
InChIKeyHZCQHZGGHSEIJV-UHFFFAOYSA-N
XLogP3.04
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[2-(2-chlorophenyl)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527499
1-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
CID 90529300
N-propan-2-yl-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90527695
N-[5-(2-naphthalen-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527461
N-[5-(3-phenylsulfanylpropanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 71788060
N-[5-(2,2-diphenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527462
N-[5-(3,5-dimethylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527382
N-[5-(2-iodobenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527409
N-[5-(4-phenylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527432
N-[5-(1-thiophen-2-ylcyclopentanecarbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide
CID 90527525
N-(2-fluorophenyl)-2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 71788084
1-(2-bromo-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-cyclopentylethanone
CID 170947205

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide (CID 90527367) is N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)CC1CCCCC1)CC2)c1cnccn1.
What is the InChIKey of N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
The InChIKey is HZCQHZGGHSEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c25-17(10-13-4-2-1-3-5-13)24-9-6-14-16(12-24)27-19(22-14)23-18(26)15-11-20-7-8-21-15/h7-8,11,13H,1-6,9-10,12H2,(H,22,23,26).
What are the key properties of N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide?
N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-cyclohexylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 90527367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).