N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine

C9H15ClN2OS — CID 104878972

IUPACN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-9(2,6-13-3)12-5-8-11-4-7(10)14-8/h4,12H,5-6H2,1-3H3
InChIKeyBJZJILPQAICNJD-UHFFFAOYSA-N
MW234.75 g/mol
LogP2.31
Rot. Bonds5

About N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine (PubChem CID 104878972) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
PubChem CID104878972
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC NameN-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine
SMILESCOCC(C)(C)NCc1ncc(Cl)s1
InChIInChI=1S/C9H15ClN2OS/c1-9(2,6-13-3)12-5-8-11-4-7(10)14-8/h4,12H,5-6H2,1-3H3
InChIKeyBJZJILPQAICNJD-UHFFFAOYSA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103080942
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104878523
1-methoxy-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 62534150
1-methoxy-N-methyl-2-(1,3-thiazol-2-yl)propan-2-amine
CID 62536467
N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 62543951
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 66223681
N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 66223894
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 66224108
N-[(5-iodo-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 66224110
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610357
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-methoxypropan-1-amine
CID 102795118

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine (CID 104878972) is N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine is COCC(C)(C)NCc1ncc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
The InChIKey is BJZJILPQAICNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2OS/c1-9(2,6-13-3)12-5-8-11-4-7(10)14-8/h4,12H,5-6H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine?
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine has a molecular weight of 234.75 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 104878972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).