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

C19H22N6OS — CID 99813531

IUPAC1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cc(-c3ccccc3)ns1)CC2
InChIInChI=1S/C19H22N6OS/c1-12(2)18-21-16-9-8-14(11-25(16)23-18)20-19(26)22-17-10-15(24-27-17)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H2,20,22,26)/t14-/m1/s1
InChIKeyNNSKKEFCGMXUHM-CQSZACIVSA-N
MW382.49 g/mol
LogP3.66
Rot. Bonds4

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

1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (PubChem CID 99813531) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.

Molecular Properties

Compound Name1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
PubChem CID99813531
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
SMILESCC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cc(-c3ccccc3)ns1)CC2
InChIInChI=1S/C19H22N6OS/c1-12(2)18-21-16-9-8-14(11-25(16)23-18)20-19(26)22-17-10-15(24-27-17)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H2,20,22,26)/t14-/m1/s1
InChIKeyNNSKKEFCGMXUHM-CQSZACIVSA-N
XLogP3.66
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-(4-hydroxycyclohexyl)-3-(3-phenyl-1,2-thiazol-5-yl)urea
CID 111578713
3-ethyl-N-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)triazole-4-carboxamide
CID 128519257
(5R)-5-methyl-N-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
CID 129399870
N,N-dimethyl-2-[[(1-phenylethylamino)-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methylidene]amino]acetamide;hydroiodide
CID 110041117
N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
CID 99634698
N-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127567
N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780960
1-cyclobutyl-2-ethyl-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119154047
2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
CID 56780086
1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
CID 167765309
1-[3-(2-methylpropoxy)phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 155944996
1-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 166532852

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The IUPAC name of 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea (CID 99813531) is 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea.
What is the SMILES notation for 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The canonical SMILES for 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is CC(C)c1nc2n(n1)C[C@H](NC(=O)Nc1cc(-c3ccccc3)ns1)CC2.
What is the InChIKey of 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
The InChIKey is NNSKKEFCGMXUHM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-12(2)18-21-16-9-8-14(11-25(16)23-18)20-19(26)22-17-10-15(24-27-17)13-6-4-3-5-7-13/h3-7,10,12,14H,8-9,11H2,1-2H3,(H2,20,22,26)/t14-/m1/s1.
What are the key properties of 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea?
1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea has a molecular weight of 382.49 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1,2-thiazol-5-yl)-3-[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea is sourced from PubChem (CID 99813531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).