(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole

C10H19NS — CID 140915300

IUPAC(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCCC(C)C1=N[C@@H](C)[C@H](CC)S1
InChIInChI=1S/C10H19NS/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-9H,5-6H2,1-4H3/t7?,8-,9-/m0/s1
InChIKeyRFBWQYHRQKASFM-NPPUSCPJSA-N
MW185.34 g/mol
LogP3.34
Rot. Bonds3

About (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole

(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 140915300) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID140915300
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole
SMILESCCC(C)C1=N[C@@H](C)[C@H](CC)S1
InChIInChI=1S/C10H19NS/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-9H,5-6H2,1-4H3/t7?,8-,9-/m0/s1
InChIKeyRFBWQYHRQKASFM-NPPUSCPJSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole (CID 140915300) is (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole is CCC(C)C1=N[C@@H](C)[C@H](CC)S1.
What is the InChIKey of (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is RFBWQYHRQKASFM-NPPUSCPJSA-N. The full InChI is InChI=1S/C10H19NS/c1-5-7(3)10-11-8(4)9(6-2)12-10/h7-9H,5-6H2,1-4H3/t7?,8-,9-/m0/s1.
What are the key properties of (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole?
(4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 185.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2-butan-2-yl-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 140915300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).