tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid

C11H19N3O2S — CID 66891534

IUPACtert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid
SMILESCNCc1csc(CN(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)14(10(15)16)6-9-13-8(5-12-4)7-17-9/h7,12H,5-6H2,1-4H3,(H,15,16)
InChIKeyOWRKJZDTZBUNBD-UHFFFAOYSA-N
MW257.36 g/mol
LogP2.14
Rot. Bonds4

About tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid

tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid (PubChem CID 66891534) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid
PubChem CID66891534
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Nametert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid
SMILESCNCc1csc(CN(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C11H19N3O2S/c1-11(2,3)14(10(15)16)6-9-13-8(5-12-4)7-17-9/h7,12H,5-6H2,1-4H3,(H,15,16)
InChIKeyOWRKJZDTZBUNBD-UHFFFAOYSA-N
XLogP2.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(fluoromethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
CID 84764244
[3,3-dimethyl-2-[4-(methylaminomethyl)-1,3-thiazol-2-yl]butan-2-yl]carbamic acid
CID 66890718
tert-butyl-[[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methyl]carbamic acid
CID 69315886
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265310
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2-methylbutanoic acid
CID 79789614
1-[4-[[benzyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62423104
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115088136
butanedioic acid;bis(N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine)
CID 11612288
N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
1-[2-[(1,1-dioxothiolan-3-yl)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 115087981
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid (CID 66891534) is tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid is CNCc1csc(CN(C(=O)O)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid?
The InChIKey is OWRKJZDTZBUNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-11(2,3)14(10(15)16)6-9-13-8(5-12-4)7-17-9/h7,12H,5-6H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid?
tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid has a molecular weight of 257.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[4-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]carbamic acid is sourced from PubChem (CID 66891534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).