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

C14H19N3S — CID 104869995

IUPACN'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nc(CN(CCN)Cc2ccccc2)cs1
InChIInChI=1S/C14H19N3S/c1-12-16-14(11-18-12)10-17(8-7-15)9-13-5-3-2-4-6-13/h2-6,11H,7-10,15H2,1H3
InChIKeyFEZVOTHCLIEWBA-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.41
Rot. Bonds6

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

N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 104869995) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID104869995
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC NameN'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1nc(CN(CCN)Cc2ccccc2)cs1
InChIInChI=1S/C14H19N3S/c1-12-16-14(11-18-12)10-17(8-7-15)9-13-5-3-2-4-6-13/h2-6,11H,7-10,15H2,1H3
InChIKeyFEZVOTHCLIEWBA-UHFFFAOYSA-N
XLogP2.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859101
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 120844378
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 82886139
N-benzyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]-1-phenylmethanamine
CID 22197508
N'-benzyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 39357118
N'-benzyl-N'-(trimethylsilylmethyl)ethane-1,2-diamine
CID 122164959
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N-benzyl-N-ethyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane
CID 143940536
N'-methyl-N'-[(2-phenyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55103704

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine (CID 104869995) is N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is Cc1nc(CN(CCN)Cc2ccccc2)cs1.
What is the InChIKey of N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is FEZVOTHCLIEWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-12-16-14(11-18-12)10-17(8-7-15)9-13-5-3-2-4-6-13/h2-6,11H,7-10,15H2,1H3.
What are the key properties of N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine?
N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 261.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 104869995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).