(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

C16H18N4OS — CID 97090370

IUPAC(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1(C)[C@@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)C[C@@H]21
InChIInChI=1S/C16H18N4OS/c1-16(2)11-7-20(8-12(11)16)15(21)19-14-18-13(9-22-14)10-4-3-5-17-6-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,18,19,21)/t11-,12+
InChIKeyLJCYTFVKJVXGFS-TXEJJXNPSA-N
MW314.41 g/mol
LogP3.32
Rot. Bonds2

About (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide

(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 97090370) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID97090370
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC1(C)[C@@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)C[C@@H]21
InChIInChI=1S/C16H18N4OS/c1-16(2)11-7-20(8-12(11)16)15(21)19-14-18-13(9-22-14)10-4-3-5-17-6-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,18,19,21)/t11-,12+
InChIKeyLJCYTFVKJVXGFS-TXEJJXNPSA-N
XLogP3.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

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4-(3-chlorobenzoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
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2-imidazol-1-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
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CID 18151055
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CID 90573324
1,1-bis(2-methylpropyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 87009120
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide (CID 97090370) is (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide is CC1(C)[C@@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)C[C@@H]21.
What is the InChIKey of (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is LJCYTFVKJVXGFS-TXEJJXNPSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-16(2)11-7-20(8-12(11)16)15(21)19-14-18-13(9-22-14)10-4-3-5-17-6-10/h3-6,9,11-12H,7-8H2,1-2H3,(H,18,19,21)/t11-,12+.
What are the key properties of (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide?
(1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-6,6-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 97090370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).