N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

C15H21N3S — CID 63839651

IUPACN-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncsc1CN(C)CCNCc1ccccc1
InChIInChI=1S/C15H21N3S/c1-13-15(19-12-17-13)11-18(2)9-8-16-10-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3
InChIKeyADSRSQKQQZTWKS-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.67
Rot. Bonds7

About N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine

N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (PubChem CID 63839651) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
PubChem CID63839651
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
SMILESCc1ncsc1CN(C)CCNCc1ccccc1
InChIInChI=1S/C15H21N3S/c1-13-15(19-12-17-13)11-18(2)9-8-16-10-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3
InChIKeyADSRSQKQQZTWKS-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 63836860
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
N'-methyl-N-(4-methylpentyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 55256951
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
N'-methyl-N-(3-methylbutan-2-yl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine
CID 63840712
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenylpropane-1,2-diamine
CID 63838007
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
N'-methyl-N-(2-methylpropyl)-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 63838282
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63838273
4-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]ethyl]aniline
CID 63843467
N-[[5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 63838095
N'-ethyl-N'-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]ethane-1,2-diamine
CID 62635246

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine (CID 63839651) is N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is Cc1ncsc1CN(C)CCNCc1ccccc1.
What is the InChIKey of N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is ADSRSQKQQZTWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-13-15(19-12-17-13)11-18(2)9-8-16-10-14-6-4-3-5-7-14/h3-7,12,16H,8-11H2,1-2H3.
What are the key properties of N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine?
N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63839651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).