2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole

C22H26N4O3S2 — CID 89215396

IUPAC2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC[C@H]4NS(N)(=O)=O)s2)cc1N
InChIInChI=1S/C22H26N4O3S2/c1-13(2)29-20-10-9-14(11-18(20)23)22-25-12-21(30-22)17-7-3-6-16-15(17)5-4-8-19(16)26-31(24,27)28/h3,6-7,9-13,19,26H,4-5,8,23H2,1-2H3,(H2,24,27,28)/t19-/m1/s1
InChIKeyMLFWWUOHINIARL-LJQANCHMSA-N
MW458.61 g/mol
LogP4.02
Rot. Bonds6

About 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole

2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole (PubChem CID 89215396) has the molecular formula C22H26N4O3S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole
PubChem CID89215396
Molecular FormulaC22H26N4O3S2
Molecular Weight458.61 g/mol
Exact Mass458.14
IUPAC Name2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole
SMILESCC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC[C@H]4NS(N)(=O)=O)s2)cc1N
InChIInChI=1S/C22H26N4O3S2/c1-13(2)29-20-10-9-14(11-18(20)23)22-25-12-21(30-22)17-7-3-6-16-15(17)5-4-8-19(16)26-31(24,27)28/h3,6-7,9-13,19,26H,4-5,8,23H2,1-2H3,(H2,24,27,28)/t19-/m1/s1
InChIKeyMLFWWUOHINIARL-LJQANCHMSA-N
XLogP4.02
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole?
The IUPAC name of 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole (CID 89215396) is 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole?
The canonical SMILES for 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole is CC(C)Oc1ccc(-c2ncc(-c3cccc4c3CCC[C@H]4NS(N)(=O)=O)s2)cc1N.
What is the InChIKey of 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole?
The InChIKey is MLFWWUOHINIARL-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O3S2/c1-13(2)29-20-10-9-14(11-18(20)23)22-25-12-21(30-22)17-7-3-6-16-15(17)5-4-8-19(16)26-31(24,27)28/h3,6-7,9-13,19,26H,4-5,8,23H2,1-2H3,(H2,24,27,28)/t19-/m1/s1.
What are the key properties of 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole?
2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole has a molecular weight of 458.61 g/mol, XLogP of 4.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-propan-2-yloxyphenyl)-5-[(5R)-5-(sulfamoylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]-1,3-thiazole is sourced from PubChem (CID 89215396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).