N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine

C15H21N3S — CID 65169131

IUPACN-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(Cc1cccc(N)c1)c1nc(C)c(C)s1
InChIInChI=1S/C15H21N3S/c1-4-8-18(15-17-11(2)12(3)19-15)10-13-6-5-7-14(16)9-13/h5-7,9H,4,8,10,16H2,1-3H3
InChIKeyMQGPBHQKQPXZTQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.76
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine

N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 65169131) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
PubChem CID65169131
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(Cc1cccc(N)c1)c1nc(C)c(C)s1
InChIInChI=1S/C15H21N3S/c1-4-8-18(15-17-11(2)12(3)19-15)10-13-6-5-7-14(16)9-13/h5-7,9H,4,8,10,16H2,1-3H3
InChIKeyMQGPBHQKQPXZTQ-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine (CID 65169131) is N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine is CCCN(Cc1cccc(N)c1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is MQGPBHQKQPXZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-8-18(15-17-11(2)12(3)19-15)10-13-6-5-7-14(16)9-13/h5-7,9H,4,8,10,16H2,1-3H3.
What are the key properties of N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine?
N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-4,5-dimethyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 65169131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).