[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid

C16H20N2O2S — CID 174840425

IUPAC[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid
SMILESCC(C)(C[C@H](Cc1ccccc1)c1nccs1)NC(=O)O
InChIInChI=1S/C16H20N2O2S/c1-16(2,18-15(19)20)11-13(14-17-8-9-21-14)10-12-6-4-3-5-7-12/h3-9,13,18H,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyVEEWFBVFAGQUOV-ZDUSSCGKSA-N
MW304.42 g/mol
LogP3.91
Rot. Bonds6

About [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid

[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid (PubChem CID 174840425) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid
PubChem CID174840425
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid
SMILESCC(C)(C[C@H](Cc1ccccc1)c1nccs1)NC(=O)O
InChIInChI=1S/C16H20N2O2S/c1-16(2,18-15(19)20)11-13(14-17-8-9-21-14)10-12-6-4-3-5-7-12/h3-9,13,18H,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1
InChIKeyVEEWFBVFAGQUOV-ZDUSSCGKSA-N
XLogP3.91
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid?
The IUPAC name of [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid (CID 174840425) is [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid.
What is the SMILES notation for [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid?
The canonical SMILES for [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid is CC(C)(C[C@H](Cc1ccccc1)c1nccs1)NC(=O)O.
What is the InChIKey of [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid?
The InChIKey is VEEWFBVFAGQUOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-16(2,18-15(19)20)11-13(14-17-8-9-21-14)10-12-6-4-3-5-7-12/h3-9,13,18H,10-11H2,1-2H3,(H,19,20)/t13-/m0/s1.
What are the key properties of [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid?
[(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid has a molecular weight of 304.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-2-methyl-5-phenyl-4-(1,3-thiazol-2-yl)pentan-2-yl]carbamic acid is sourced from PubChem (CID 174840425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).