2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

C18H23N3OS2 — CID 3863772

IUPAC2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NC2CCCc3ccccc32)cs1
InChIInChI=1S/C18H23N3OS2/c1-23-10-9-14(19)18-21-16(11-24-18)17(22)20-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,11,14-15H,4,6,8-10,19H2,1H3,(H,20,22)
InChIKeyZNYRJMVRSXFDTO-UHFFFAOYSA-N
MW361.54 g/mol
LogP3.70
Rot. Bonds6

About 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide

2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3863772) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
PubChem CID3863772
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Name2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
SMILESCSCCC(N)c1nc(C(=O)NC2CCCc3ccccc32)cs1
InChIInChI=1S/C18H23N3OS2/c1-23-10-9-14(19)18-21-16(11-24-18)17(22)20-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,11,14-15H,4,6,8-10,19H2,1H3,(H,20,22)
InChIKeyZNYRJMVRSXFDTO-UHFFFAOYSA-N
XLogP3.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
2-(cyclohexylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide
CID 57480048
(2S)-4-methylsulfanyl-2-(propanoylamino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 94519727
2-(1-amino-3-methylsulfanylpropyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3852970
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 169223095
(2S)-4-methylsulfanyl-2-(propanoylamino)-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]butanamide
CID 95321430
N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-2-carboxamide
CID 5135545
3-[methyl(2-methylsulfanylethyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 71855495
1-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-3-carboxamide
CID 35324690
2-(1-aminoethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-4-carboxamide
CID 107222289
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 126432000
2-(1-amino-3-methylbutyl)-N-cycloheptyl-1,3-thiazole-4-carboxamide
CID 3849663

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide (CID 3863772) is 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is CSCCC(N)c1nc(C(=O)NC2CCCc3ccccc32)cs1.
What is the InChIKey of 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZNYRJMVRSXFDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-23-10-9-14(19)18-21-16(11-24-18)17(22)20-15-8-4-6-12-5-2-3-7-13(12)15/h2-3,5,7,11,14-15H,4,6,8-10,19H2,1H3,(H,20,22).
What are the key properties of 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide?
2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 361.54 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylsulfanylpropyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3863772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).