2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide

C20H25N3O2S — CID 166393836

IUPAC2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CCC(O)C3(CCCC3)C2)c(-c2ccccc2)s1
InChIInChI=1S/C20H25N3O2S/c21-19-23-16(17(26-19)13-6-2-1-3-7-13)18(25)22-14-8-9-15(24)20(12-14)10-4-5-11-20/h1-3,6-7,14-15,24H,4-5,8-12H2,(H2,21,23)(H,22,25)
InChIKeyIQTQBRWWWVKSLI-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.60
Rot. Bonds3

About 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide

2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 166393836) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID166393836
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC Name2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2CCC(O)C3(CCCC3)C2)c(-c2ccccc2)s1
InChIInChI=1S/C20H25N3O2S/c21-19-23-16(17(26-19)13-6-2-1-3-7-13)18(25)22-14-8-9-15(24)20(12-14)10-4-5-11-20/h1-3,6-7,14-15,24H,4-5,8-12H2,(H2,21,23)(H,22,25)
InChIKeyIQTQBRWWWVKSLI-UHFFFAOYSA-N
XLogP3.60
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-cyclopropyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 155963732
N-cyclopentyl-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 110647439
(2-amino-5-phenyl-1,3-thiazol-4-yl)-[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]methanone
CID 155961272
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
2-amino-5-(4-fluorophenyl)-1,3-thiazole-4-carbohydrazide
CID 2783009
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-3-phenylbenzamide
CID 110867733
2-amino-N-cyclopropyl-N-[2-(2,3-dihydro-1,4-benzodioxine-5-carbonylamino)ethyl]-5-phenyl-1,3-thiazole-4-carboxamide
CID 87404497
N-(4-hydroxycyclohexyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 78810994
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275
2-(2-amino-5-phenyl-1,3-thiazol-4-yl)acetic acid;hydrobromide
CID 175338696
2-amino-N-(1-benzylpiperidin-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 39115704

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide (CID 166393836) is 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NC2CCC(O)C3(CCCC3)C2)c(-c2ccccc2)s1.
What is the InChIKey of 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is IQTQBRWWWVKSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c21-19-23-16(17(26-19)13-6-2-1-3-7-13)18(25)22-14-8-9-15(24)20(12-14)10-4-5-11-20/h1-3,6-7,14-15,24H,4-5,8-12H2,(H2,21,23)(H,22,25).
What are the key properties of 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide?
2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(10-hydroxyspiro[4.5]decan-7-yl)-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166393836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).