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

C7H13NS — CID 10725462

IUPAC(4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyDYMRFOBZZQTGRL-SSDOTTSWSA-N
MW143.25 g/mol
LogP2.18
Rot. Bonds1

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

(4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 10725462) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID10725462
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name(4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole
SMILESCC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3/t7-/m1/s1
InChIKeyDYMRFOBZZQTGRL-SSDOTTSWSA-N
XLogP2.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole (CID 10725462) is (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole is CC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is DYMRFOBZZQTGRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13NS/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3/t7-/m1/s1.
What are the key properties of (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole?
(4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 143.25 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 10725462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).