(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid

C12H11BrN2O3S — CID 146190066

IUPAC(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2nc(Br)cs2)cc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-9-4-2-8(3-5-9)6-15(12(16)17)11-14-10(13)7-19-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMFSWQERBCUTUJY-UHFFFAOYSA-N
MW343.20 g/mol
LogP3.60
Rot. Bonds4

About (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid

(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid (PubChem CID 146190066) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid
PubChem CID146190066
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC Name(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid
SMILESCOc1ccc(CN(C(=O)O)c2nc(Br)cs2)cc1
InChIInChI=1S/C12H11BrN2O3S/c1-18-9-4-2-8(3-5-9)6-15(12(16)17)11-14-10(13)7-19-11/h2-5,7H,6H2,1H3,(H,16,17)
InChIKeyMFSWQERBCUTUJY-UHFFFAOYSA-N
XLogP3.60
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl-[4-(6-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-yl]carbamic acid
CID 146197537
methyl 2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazole-4-carboxylate
CID 115423869
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1172662
[4-(bromomethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294574
3-[2-[(4-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486744
1-(4-bromo-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 138857531
(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 143610345
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1138529
[4-(bromomethyl)-5-methyl-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 135153897
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid (CID 146190066) is (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid is COc1ccc(CN(C(=O)O)c2nc(Br)cs2)cc1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid?
The InChIKey is MFSWQERBCUTUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c1-18-9-4-2-8(3-5-9)6-15(12(16)17)11-14-10(13)7-19-11/h2-5,7H,6H2,1H3,(H,16,17).
What are the key properties of (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid?
(4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid has a molecular weight of 343.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)-[(4-methoxyphenyl)methyl]carbamic acid is sourced from PubChem (CID 146190066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).