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

C14H17ClN2S — CID 62542554

IUPACN-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C14H17ClN2S/c1-14(2,3)16-8-13-17-12(9-18-13)10-5-4-6-11(15)7-10/h4-7,9,16H,8H2,1-3H3
InChIKeyOXUYMRRXLHRLFP-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.35
Rot. Bonds3

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

N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62542554) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62542554
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC NameN-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(-c2cccc(Cl)c2)cs1
InChIInChI=1S/C14H17ClN2S/c1-14(2,3)16-8-13-17-12(9-18-13)10-5-4-6-11(15)7-10/h4-7,9,16H,8H2,1-3H3
InChIKeyOXUYMRRXLHRLFP-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62544339
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]ethanol
CID 115043402
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]propan-1-amine
CID 62668340
2-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 61337270
4-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-1,3-thiazole
CID 84567479
N-[[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62542712
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 55129663
1-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62543515
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
2-methyl-N-[[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62545171
4-(3-chlorophenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 150697593

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62542554) is N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc(-c2cccc(Cl)c2)cs1.
What is the InChIKey of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OXUYMRRXLHRLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-14(2,3)16-8-13-17-12(9-18-13)10-5-4-6-11(15)7-10/h4-7,9,16H,8H2,1-3H3.
What are the key properties of N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 280.82 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62542554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).