(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide

C21H28FN3OS — CID 11682554

IUPAC(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C21H28FN3OS/c1-4-5-18(20(26)25-21-23-12-19(27-21)13(2)3)24-17-9-7-14-10-16(22)8-6-15(14)11-17/h6,8,10,12-13,17-18,24H,4-5,7,9,11H2,1-3H3,(H,23,25,26)/t17?,18-/m0/s1
InChIKeyFVJXYGGNZHHKKD-ZVAWYAOSSA-N
MW389.54 g/mol
LogP4.66
Rot. Bonds7

About (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide

(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (PubChem CID 11682554) has the molecular formula C21H28FN3OS and a molecular weight of 389.54 g/mol. Its IUPAC name is (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
PubChem CID11682554
Molecular FormulaC21H28FN3OS
Molecular Weight389.54 g/mol
Exact Mass389.19
IUPAC Name(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide
SMILESCCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)Nc1ncc(C(C)C)s1
InChIInChI=1S/C21H28FN3OS/c1-4-5-18(20(26)25-21-23-12-19(27-21)13(2)3)24-17-9-7-14-10-16(22)8-6-15(14)11-17/h6,8,10,12-13,17-18,24H,4-5,7,9,11H2,1-3H3,(H,23,25,26)/t17?,18-/m0/s1
InChIKeyFVJXYGGNZHHKKD-ZVAWYAOSSA-N
XLogP4.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The IUPAC name of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide (CID 11682554) is (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is CCC[C@H](NC1CCc2cc(F)ccc2C1)C(=O)Nc1ncc(C(C)C)s1.
What is the InChIKey of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
The InChIKey is FVJXYGGNZHHKKD-ZVAWYAOSSA-N. The full InChI is InChI=1S/C21H28FN3OS/c1-4-5-18(20(26)25-21-23-12-19(27-21)13(2)3)24-17-9-7-14-10-16(22)8-6-15(14)11-17/h6,8,10,12-13,17-18,24H,4-5,7,9,11H2,1-3H3,(H,23,25,26)/t17?,18-/m0/s1.
What are the key properties of (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide?
(2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide has a molecular weight of 389.54 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 11682554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).