N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

C16H21ClN2OS — CID 62444364

IUPACN-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(COCc2ccccc2Cl)cs1
InChIInChI=1S/C16H21ClN2OS/c1-16(2,3)18-8-15-19-13(11-21-15)10-20-9-12-6-4-5-7-14(12)17/h4-7,11,18H,8-10H2,1-3H3
InChIKeyHMSJYCPTZIABPK-UHFFFAOYSA-N
MW324.88 g/mol
LogP4.40
Rot. Bonds6

About N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62444364) has the molecular formula C16H21ClN2OS and a molecular weight of 324.88 g/mol. Its IUPAC name is N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62444364
Molecular FormulaC16H21ClN2OS
Molecular Weight324.88 g/mol
Exact Mass324.11
IUPAC NameN-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(COCc2ccccc2Cl)cs1
InChIInChI=1S/C16H21ClN2OS/c1-16(2,3)18-8-15-19-13(11-21-15)10-20-9-12-6-4-5-7-14(12)17/h4-7,11,18H,8-10H2,1-3H3
InChIKeyHMSJYCPTZIABPK-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
2-methyl-N-[[4-(2-pyridin-2-ylethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62455746
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
2-methyl-N-[[4-[2-(2-methylpropoxy)ethoxymethyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 106449918
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63879023
N-[[4-[(2-fluorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 63935765
2-methyl-N-[[4-(2-methylpentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 103285606
N-[[4-(1-ethoxypropan-2-yloxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 103490551
2-methyl-N-[[4-(oxan-4-ylmethoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62486890
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
6-[(2-chlorophenyl)methoxymethyl]-N-ethylpyridin-2-amine
CID 79239525

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62444364) is N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc(COCc2ccccc2Cl)cs1.
What is the InChIKey of N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is HMSJYCPTZIABPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2OS/c1-16(2,3)18-8-15-19-13(11-21-15)10-20-9-12-6-4-5-7-14(12)17/h4-7,11,18H,8-10H2,1-3H3.
What are the key properties of N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 324.88 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62444364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).