[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid

C13H14N2O2S — CID 139579282

IUPAC[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
SMILESCc1ncsc1-c1ccc([C@H](C)NC(=O)O)cc1
InChIInChI=1S/C13H14N2O2S/c1-8(15-13(16)17)10-3-5-11(6-4-10)12-9(2)14-7-18-12/h3-8,15H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyLPAQVVKVRHMPAA-QMMMGPOBSA-N
MW262.33 g/mol
LogP3.45
Rot. Bonds3

About [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid

[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid (PubChem CID 139579282) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
PubChem CID139579282
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
SMILESCc1ncsc1-c1ccc([C@H](C)NC(=O)O)cc1
InChIInChI=1S/C13H14N2O2S/c1-8(15-13(16)17)10-3-5-11(6-4-10)12-9(2)14-7-18-12/h3-8,15H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKeyLPAQVVKVRHMPAA-QMMMGPOBSA-N
XLogP3.45
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The IUPAC name of [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid (CID 139579282) is [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid is Cc1ncsc1-c1ccc([C@H](C)NC(=O)O)cc1.
What is the InChIKey of [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The InChIKey is LPAQVVKVRHMPAA-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-8(15-13(16)17)10-3-5-11(6-4-10)12-9(2)14-7-18-12/h3-8,15H,1-2H3,(H,16,17)/t8-/m0/s1.
What are the key properties of [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid has a molecular weight of 262.33 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 139579282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).