N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

C15H18Cl2N2S — CID 61334031

IUPACN-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1nc(C(NC(C)C)c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C15H18Cl2N2S/c1-8(2)18-14(15-19-9(3)10(4)20-15)13-11(16)6-5-7-12(13)17/h5-8,14,18H,1-4H3
InChIKeyRMUCASHEXCJBBZ-UHFFFAOYSA-N
MW329.30 g/mol
LogP5.15
Rot. Bonds4

About N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine

N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61334031) has the molecular formula C15H18Cl2N2S and a molecular weight of 329.30 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61334031
Molecular FormulaC15H18Cl2N2S
Molecular Weight329.30 g/mol
Exact Mass328.06
IUPAC NameN-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1nc(C(NC(C)C)c2c(Cl)cccc2Cl)sc1C
InChIInChI=1S/C15H18Cl2N2S/c1-8(2)18-14(15-19-9(3)10(4)20-15)13-11(16)6-5-7-12(13)17/h5-8,14,18H,1-4H3
InChIKeyRMUCASHEXCJBBZ-UHFFFAOYSA-N
XLogP5.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.30
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dichlorophenyl)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331729
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
CID 61334622
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114859205
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
CID 62345229
N-[(3-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61335065
N-[(2-chlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542963
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
1-(2,6-dichlorophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanamine
CID 105019614
N-[[3-(difluoromethyl)phenyl]-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115527578
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(1-propylpyrazol-4-yl)methyl]propan-2-amine
CID 103572508
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61334031) is N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1nc(C(NC(C)C)c2c(Cl)cccc2Cl)sc1C.
What is the InChIKey of N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is RMUCASHEXCJBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2S/c1-8(2)18-14(15-19-9(3)10(4)20-15)13-11(16)6-5-7-12(13)17/h5-8,14,18H,1-4H3.
What are the key properties of N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 329.30 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61334031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).