[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid

C14H17N3O2S — CID 174157567

IUPAC[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
SMILESCNC[C@H](NC(=O)O)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C14H17N3O2S/c1-9-13(20-8-16-9)11-5-3-10(4-6-11)12(7-15-2)17-14(18)19/h3-6,8,12,15,17H,7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyUZYUSWTXUUCQCW-LBPRGKRZSA-N
MW291.38 g/mol
LogP2.65
Rot. Bonds5

About [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid

[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid (PubChem CID 174157567) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
PubChem CID174157567
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
SMILESCNC[C@H](NC(=O)O)c1ccc(-c2scnc2C)cc1
InChIInChI=1S/C14H17N3O2S/c1-9-13(20-8-16-9)11-5-3-10(4-6-11)12(7-15-2)17-14(18)19/h3-6,8,12,15,17H,7H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyUZYUSWTXUUCQCW-LBPRGKRZSA-N
XLogP2.65
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylpropan-2-yl)oxycarbonyloxy]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 174167362
[2-(1,3-dioxoisoindol-2-yl)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid
CID 138693509
(3S)-N-methyl-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanamide
CID 154979709
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
(3S)-3-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoic acid
CID 170156064
tert-butyl N-[(1R)-2-(3,3-dimethylbutoxy)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamate
CID 176629165
1-[2-fluoro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethylcarbamic acid
CID 139531198
tert-butyl N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-6-oxohexyl]carbamate
CID 171104855
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The IUPAC name of [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid (CID 174157567) is [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid.
What is the SMILES notation for [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The canonical SMILES for [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid is CNC[C@H](NC(=O)O)c1ccc(-c2scnc2C)cc1.
What is the InChIKey of [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
The InChIKey is UZYUSWTXUUCQCW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-13(20-8-16-9)11-5-3-10(4-6-11)12(7-15-2)17-14(18)19/h3-6,8,12,15,17H,7H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid?
[(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid has a molecular weight of 291.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylamino)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamic acid is sourced from PubChem (CID 174157567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).