1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea

C16H16N6OS — CID 99840303

IUPAC1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
SMILESO=C(Nc1scnc1-c1ccccc1)N[C@@H]1CCCn2ncnc21
InChIInChI=1S/C16H16N6OS/c23-16(20-12-7-4-8-22-14(12)17-9-19-22)21-15-13(18-10-24-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H2,20,21,23)/t12-/m1/s1
InChIKeyLDCAOUJSQZDQOF-GFCCVEGCSA-N
MW340.41 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea

1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea (PubChem CID 99840303) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea.

Molecular Properties

Compound Name1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
PubChem CID99840303
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC Name1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
SMILESO=C(Nc1scnc1-c1ccccc1)N[C@@H]1CCCn2ncnc21
InChIInChI=1S/C16H16N6OS/c23-16(20-12-7-4-8-22-14(12)17-9-19-22)21-15-13(18-10-24-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H2,20,21,23)/t12-/m1/s1
InChIKeyLDCAOUJSQZDQOF-GFCCVEGCSA-N
XLogP3.06
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methyl-1-phenylmethoxypropan-2-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124844930
1-(2-hydroxy-3-phenylpropyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111969612
N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 71862202
1-[[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97333247
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]propanamide
CID 124567982
(3R)-1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 124734784
1-methyl-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-quinoline-3-carboxamide
CID 119043484
1-(2-chlorophenyl)-5-cyclopropyl-N-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-1,2,4-triazole-3-carboxamide
CID 96535050
(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 124527741
5-fluoro-N-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]pyridine-3-carboxamide
CID 164642091
2-(1-hydroxycyclohexyl)-N-(4-phenyl-1,3-thiazol-5-yl)acetamide
CID 111537981
trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 119050510

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The IUPAC name of 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea (CID 99840303) is 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea.
What is the SMILES notation for 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The canonical SMILES for 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea is O=C(Nc1scnc1-c1ccccc1)N[C@@H]1CCCn2ncnc21.
What is the InChIKey of 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
The InChIKey is LDCAOUJSQZDQOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N6OS/c23-16(20-12-7-4-8-22-14(12)17-9-19-22)21-15-13(18-10-24-15)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2,(H2,20,21,23)/t12-/m1/s1.
What are the key properties of 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea?
1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea has a molecular weight of 340.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-thiazol-5-yl)-3-[(8R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea is sourced from PubChem (CID 99840303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).