benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid

C15H18N2O3S — CID 66716649

IUPACbenzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid
SMILESCc1csc([C@@H](O)[C@H](C)N(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C15H18N2O3S/c1-10-9-21-14(16-10)13(18)11(2)17(15(19)20)8-12-6-4-3-5-7-12/h3-7,9,11,13,18H,8H2,1-2H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyGDYQAEHQSABZMV-AAEUAGOBSA-N
MW306.39 g/mol
LogP3.05
Rot. Bonds5

About benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid

benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid (PubChem CID 66716649) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid
PubChem CID66716649
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Namebenzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid
SMILESCc1csc([C@@H](O)[C@H](C)N(Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C15H18N2O3S/c1-10-9-21-14(16-10)13(18)11(2)17(15(19)20)8-12-6-4-3-5-7-12/h3-7,9,11,13,18H,8H2,1-2H3,(H,19,20)/t11-,13-/m0/s1
InChIKeyGDYQAEHQSABZMV-AAEUAGOBSA-N
XLogP3.05
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1-phenylpropan-2-yl)-1,3-thiazole
CID 21365787
1-benzyl-1-(2,2-difluoroethyl)-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 75379982
benzyl-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamic acid
CID 66716601
benzyl-[(2S)-1-cyano-1-hydroxypropan-2-yl]carbamic acid
CID 87121485
2-[ethyl(phenylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770737
(4-methyl-1,3-thiazol-2-yl)-phenylmethanol
CID 55201426
benzyl(butan-2-yl)carbamic acid
CID 18954164
methyl 2-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]butanoate
CID 104771637
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
N-benzyl-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 71911030
N-methyl-1-(4-methyl-1,3-thiazol-2-yl)-2-phenylethanamine
CID 61330730

Frequently Asked Questions

What is the IUPAC name of benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid (CID 66716649) is benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid is Cc1csc([C@@H](O)[C@H](C)N(Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
The InChIKey is GDYQAEHQSABZMV-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-9-21-14(16-10)13(18)11(2)17(15(19)20)8-12-6-4-3-5-7-12/h3-7,9,11,13,18H,8H2,1-2H3,(H,19,20)/t11-,13-/m0/s1.
What are the key properties of benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid?
benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid has a molecular weight of 306.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(1S,2S)-1-hydroxy-1-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]carbamic acid is sourced from PubChem (CID 66716649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).