methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate

C15H17N3O2S — CID 103379935

IUPACmethyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NC1CCCc2ccccc21
InChIInChI=1S/C15H17N3O2S/c1-20-15(19)12-13(16)18-21-14(12)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,17H,4,6,8H2,1H3,(H2,16,18)
InChIKeyCSYULOKWOQZVBG-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.00
Rot. Bonds3

About methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate

methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate (PubChem CID 103379935) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
PubChem CID103379935
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Namemethyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(N)nsc1NC1CCCc2ccccc21
InChIInChI=1S/C15H17N3O2S/c1-20-15(19)12-13(16)18-21-14(12)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,17H,4,6,8H2,1H3,(H2,16,18)
InChIKeyCSYULOKWOQZVBG-UHFFFAOYSA-N
XLogP3.00
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazol-4-yl]ethanone
CID 79364230
4-methylsulfonyl-5-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,2-thiazole-3,5-diamine
CID 103379933
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
CID 133488083
ethyl 3-amino-5-(2,3-dihydro-1-benzofuran-3-ylamino)-1,2-thiazole-4-carboxylate
CID 103381303
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 54507059
dimethyl 3-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamothioylamino)thiophene-2,4-dicarboxylate
CID 19652770
methyl 3-amino-5-[(1-methylpiperidin-3-yl)amino]-1,2-thiazole-4-carboxylate
CID 103378458
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)propanoic acid
CID 78988055
methyl 2-cyclopropyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 113369459

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate (CID 103379935) is methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate is COC(=O)c1c(N)nsc1NC1CCCc2ccccc21.
What is the InChIKey of methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is CSYULOKWOQZVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-20-15(19)12-13(16)18-21-14(12)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11,17H,4,6,8H2,1H3,(H2,16,18).
What are the key properties of methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate?
methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 303.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).