(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H20N2OS — CID 79246382

IUPAC(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCc1cccc(NC2=N[C@@H](C(C)C)CS2)c1
InChIInChI=1S/C14H20N2OS/c1-10(2)13-9-18-14(16-13)15-12-6-4-5-11(7-12)8-17-3/h4-7,10,13H,8-9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyOSXSOSSFHXWWIM-CYBMUJFWSA-N
MW264.39 g/mol
LogP3.37
Rot. Bonds4

About (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79246382) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79246382
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCOCc1cccc(NC2=N[C@@H](C(C)C)CS2)c1
InChIInChI=1S/C14H20N2OS/c1-10(2)13-9-18-14(16-13)15-12-6-4-5-11(7-12)8-17-3/h4-7,10,13H,8-9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyOSXSOSSFHXWWIM-CYBMUJFWSA-N
XLogP3.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79246382) is (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is COCc1cccc(NC2=N[C@@H](C(C)C)CS2)c1.
What is the InChIKey of (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OSXSOSSFHXWWIM-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-10(2)13-9-18-14(16-13)15-12-6-4-5-11(7-12)8-17-3/h4-7,10,13H,8-9H2,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[3-(methoxymethyl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79246382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).