7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide

C18H22N4O2S — CID 118741395

IUPAC7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)Nc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2
InChIInChI=1S/C18H22N4O2S/c1-12(2)20-17-21-14-10-22(11-15(23)16(14)25-17)18(24)19-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyLDOJCMKRLUVAPI-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.91
Rot. Bonds5

About 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide

7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 118741395) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
PubChem CID118741395
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)Nc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2
InChIInChI=1S/C18H22N4O2S/c1-12(2)20-17-21-14-10-22(11-15(23)16(14)25-17)18(24)19-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyLDOJCMKRLUVAPI-UHFFFAOYSA-N
XLogP2.91
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropanecarbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90525823
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
3-methyl-N-(7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-5-phenylpentanamide
CID 86885284
2-(oxolane-2-carbonylamino)-N-(2-phenylethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 90526295
(3S,4R)-3-(dimethylamino)-N-(2-phenylethyl)-4-propan-2-ylpyrrolidine-1-carboxamide
CID 72857475
N-(2-phenylethyl)-2-pyrrol-1-ylpropanamide
CID 17086628
4-methyl-1-(2-phenylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721294
methyl N-[5-[2-(4-methoxyphenyl)ethylcarbamoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529146
4-phenyl-N-(2-phenylethyl)-7-thia-2,3,5,10-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5-triene-10-carboxamide
CID 53080116
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-oxo-N-(2-phenylethyl)pyrrolidine-1-carboxamide
CID 12884396
N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912

Frequently Asked Questions

What is the IUPAC name of 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide (CID 118741395) is 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is CC(C)Nc1nc2c(s1)C(=O)CN(C(=O)NCCc1ccccc1)C2.
What is the InChIKey of 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is LDOJCMKRLUVAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12(2)20-17-21-14-10-22(11-15(23)16(14)25-17)18(24)19-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide?
7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-N-(2-phenylethyl)-2-(propan-2-ylamino)-4,6-dihydro-[1,3]thiazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 118741395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).