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

C4H6ClNS — CID 118043135

IUPAC(5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CN=C(Cl)S1
InChIInChI=1S/C4H6ClNS/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKeyPTOAWAAPKXOFQA-VKHMYHEASA-N
MW135.62 g/mol
LogP1.72
Rot. Bonds

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

(5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 118043135) has the molecular formula C4H6ClNS and a molecular weight of 135.62 g/mol. Its IUPAC name is (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name(5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
PubChem CID118043135
Molecular FormulaC4H6ClNS
Molecular Weight135.62 g/mol
Exact Mass134.99
IUPAC Name(5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole
SMILESC[C@H]1CN=C(Cl)S1
InChIInChI=1S/C4H6ClNS/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1
InChIKeyPTOAWAAPKXOFQA-VKHMYHEASA-N
XLogP1.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.62
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole (CID 118043135) is (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole is C[C@H]1CN=C(Cl)S1.
What is the InChIKey of (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is PTOAWAAPKXOFQA-VKHMYHEASA-N. The full InChI is InChI=1S/C4H6ClNS/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1.
What are the key properties of (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole?
(5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 135.62 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-chloro-5-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 118043135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).