1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine

C17H22N6S — CID 145105142

IUPAC1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)Nc1nc(-c2cccc(N3CC4CC4C3)n2)cs1
InChIInChI=1S/C17H22N6S/c1-3-19-16(18-2)22-17-21-14(10-24-17)13-5-4-6-15(20-13)23-8-11-7-12(11)9-23/h4-6,10-12H,3,7-9H2,1-2H3,(H2,18,19,21,22)
InChIKeySBYXHCKOPOMTFL-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine

1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine (PubChem CID 145105142) has the molecular formula C17H22N6S and a molecular weight of 342.47 g/mol. Its IUPAC name is 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine.

Molecular Properties

Compound Name1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
PubChem CID145105142
Molecular FormulaC17H22N6S
Molecular Weight342.47 g/mol
Exact Mass342.16
IUPAC Name1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
SMILESCCN/C(=N\C)Nc1nc(-c2cccc(N3CC4CC4C3)n2)cs1
InChIInChI=1S/C17H22N6S/c1-3-19-16(18-2)22-17-21-14(10-24-17)13-5-4-6-15(20-13)23-8-11-7-12(11)9-23/h4-6,10-12H,3,7-9H2,1-2H3,(H2,18,19,21,22)
InChIKeySBYXHCKOPOMTFL-UHFFFAOYSA-N
XLogP2.67
TPSA65.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-[6-[(4aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
CID 145104394
1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine
CID 145104855
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]carbamoyl]cyclopropyl]-1-methylpyrrole-3-carboxamide
CID 154668520
1-tert-butyl-N-[(2S)-1-[[4-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]pyrrole-3-carboxamide
CID 154668322
N-[1-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 165136095
3-[[(2S)-1-[[4-[6-(2,6-dimethylmorpholin-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-methoxy-1-oxopropan-2-yl]carbamoyl]pyrrole-1-sulfinate
CID 170280127
N-[[6-[2-[(N'-pentylcarbamimidoyl)amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
CID 18956283
N-[1,1-dideuterio-3-[[4-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-3-oxo-1-(trideuteriomethoxy)propan-2-yl]-1-methylsulfonylpyrrole-3-carboxamide
CID 166666676
(1S,2R,3S,4S)-3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124763901
2-amino-N-[4-[6-(2,6-dimethyloxan-4-yl)-2-pyridinyl]-1,3-thiazol-2-yl]acetamide
CID 154667723
4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide
CID 166172269

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine?
The IUPAC name of 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine (CID 145105142) is 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine.
What is the SMILES notation for 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine?
The canonical SMILES for 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine is CCN/C(=N\C)Nc1nc(-c2cccc(N3CC4CC4C3)n2)cs1.
What is the InChIKey of 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine?
The InChIKey is SBYXHCKOPOMTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6S/c1-3-19-16(18-2)22-17-21-14(10-24-17)13-5-4-6-15(20-13)23-8-11-7-12(11)9-23/h4-6,10-12H,3,7-9H2,1-2H3,(H2,18,19,21,22).
What are the key properties of 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine?
1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine has a molecular weight of 342.47 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine is sourced from PubChem (CID 145105142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).