N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

C14H18ClN3S — CID 62755005

IUPACN-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H18ClN3S/c1-10(16-2)13-8-17-14(19-13)18(3)9-11-4-6-12(15)7-5-11/h4-8,10,16H,9H2,1-3H3
InChIKeyUQYFMNHFBOLBQN-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.71
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine

N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 62755005) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID62755005
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC NameN-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
SMILESCNC(C)c1cnc(N(C)Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H18ClN3S/c1-10(16-2)13-8-17-14(19-13)18(3)9-11-4-6-12(15)7-5-11/h4-8,10,16H,9H2,1-3H3
InChIKeyUQYFMNHFBOLBQN-UHFFFAOYSA-N
XLogP3.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine (CID 62755005) is N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is CNC(C)c1cnc(N(C)Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is UQYFMNHFBOLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-10(16-2)13-8-17-14(19-13)18(3)9-11-4-6-12(15)7-5-11/h4-8,10,16H,9H2,1-3H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine?
N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-methyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62755005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).