N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide

C16H16N2OS — CID 71862202

IUPACN-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1scnc1-c1ccccc1)C1C2CCCC21
InChIInChI=1S/C16H16N2OS/c19-15(13-11-7-4-8-12(11)13)18-16-14(17-9-20-16)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2,(H,18,19)
InChIKeyLQGLETKXZIQMLQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.79
Rot. Bonds3

About N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide

N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 71862202) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID71862202
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC NameN-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1scnc1-c1ccccc1)C1C2CCCC21
InChIInChI=1S/C16H16N2OS/c19-15(13-11-7-4-8-12(11)13)18-16-14(17-9-20-16)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2,(H,18,19)
InChIKeyLQGLETKXZIQMLQ-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(4-phenyl-1,3-thiazol-5-yl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 124527741
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
(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-(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
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 161340240
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 58911772
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174282
N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide (CID 71862202) is N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1scnc1-c1ccccc1)C1C2CCCC21.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is LQGLETKXZIQMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-15(13-11-7-4-8-12(11)13)18-16-14(17-9-20-16)10-5-2-1-3-6-10/h1-3,5-6,9,11-13H,4,7-8H2,(H,18,19).
What are the key properties of N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 71862202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).