1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine

C17H23N5S — CID 145104855

IUPAC1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine
SMILESCCN/C(=N\C)Nc1nc(-c2cccc3c2CCC3NC)cs1
InChIInChI=1S/C17H23N5S/c1-4-20-16(19-3)22-17-21-15(10-23-17)13-7-5-6-12-11(13)8-9-14(12)18-2/h5-7,10,14,18H,4,8-9H2,1-3H3,(H2,19,20,21,22)
InChIKeyQOOOKJRMKXPQDL-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.02
Rot. Bonds4

About 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine

1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine (PubChem CID 145104855) has the molecular formula C17H23N5S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine
PubChem CID145104855
Molecular FormulaC17H23N5S
Molecular Weight329.47 g/mol
Exact Mass329.17
IUPAC Name1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine
SMILESCCN/C(=N\C)Nc1nc(-c2cccc3c2CCC3NC)cs1
InChIInChI=1S/C17H23N5S/c1-4-20-16(19-3)22-17-21-15(10-23-17)13-7-5-6-12-11(13)8-9-14(12)18-2/h5-7,10,14,18H,4,8-9H2,1-3H3,(H2,19,20,21,22)
InChIKeyQOOOKJRMKXPQDL-UHFFFAOYSA-N
XLogP3.02
TPSA61.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
CID 145105142
1-[4-[2-[(2-chlorocyclohexa-1,5-dien-1-yl)methoxy]-3-pyridinyl]-1,3-thiazol-2-yl]-3-ethyl-2-methylguanidine
CID 145105082
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
4-(2,3-dimethylimidazol-4-yl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 114283465
N-methyl-4-(2-methylpyrazol-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 114081063
15-ethyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596338
1-[(4-methyl-1,3-thiazol-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54913172
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 5006386
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-prop-2-ynylacetamide
CID 55181634
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 75921279
15-ethyl-N-[4-[4-(ethylcarbamoyl)phenyl]-1,3-thiazol-2-yl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 142854056

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine?
The IUPAC name of 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine (CID 145104855) is 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine.
What is the SMILES notation for 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine?
The canonical SMILES for 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine is CCN/C(=N\C)Nc1nc(-c2cccc3c2CCC3NC)cs1.
What is the InChIKey of 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine?
The InChIKey is QOOOKJRMKXPQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5S/c1-4-20-16(19-3)22-17-21-15(10-23-17)13-7-5-6-12-11(13)8-9-14(12)18-2/h5-7,10,14,18H,4,8-9H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine?
1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine has a molecular weight of 329.47 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-[4-[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]-1,3-thiazol-2-yl]guanidine is sourced from PubChem (CID 145104855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).