(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine

C14H21N3OS — CID 95901368

IUPAC(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCc1ncc(C(C)C)o1)c1nccs1
InChIInChI=1S/C14H21N3OS/c1-5-14(4,13-15-6-7-19-13)17-9-12-16-8-11(18-12)10(2)3/h6-8,10,17H,5,9H2,1-4H3/t14-/m0/s1
InChIKeyPSSRPMWNDJDSSG-AWEZNQCLSA-N
MW279.41 g/mol
LogP3.67
Rot. Bonds6

About (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine

(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 95901368) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID95901368
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCc1ncc(C(C)C)o1)c1nccs1
InChIInChI=1S/C14H21N3OS/c1-5-14(4,13-15-6-7-19-13)17-9-12-16-8-11(18-12)10(2)3/h6-8,10,17H,5,9H2,1-4H3/t14-/m0/s1
InChIKeyPSSRPMWNDJDSSG-AWEZNQCLSA-N
XLogP3.67
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (CID 95901368) is (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is CC[C@](C)(NCc1ncc(C(C)C)o1)c1nccs1.
What is the InChIKey of (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is PSSRPMWNDJDSSG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-5-14(4,13-15-6-7-19-13)17-9-12-16-8-11(18-12)10(2)3/h6-8,10,17H,5,9H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
(2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 279.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 95901368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).