N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C14H28N4S — CID 62436536

IUPACN'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1csc(CNCC)n1
InChIInChI=1S/C14H28N4S/c1-5-7-18(9-8-17(3)4)11-13-12-19-14(16-13)10-15-6-2/h12,15H,5-11H2,1-4H3
InChIKeyUQBFCIZYHGGHMD-UHFFFAOYSA-N
MW284.47 g/mol
LogP2.03
Rot. Bonds10

About N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62436536) has the molecular formula C14H28N4S and a molecular weight of 284.47 g/mol. Its IUPAC name is N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62436536
Molecular FormulaC14H28N4S
Molecular Weight284.47 g/mol
Exact Mass284.20
IUPAC NameN'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1csc(CNCC)n1
InChIInChI=1S/C14H28N4S/c1-5-7-18(9-8-17(3)4)11-13-12-19-14(16-13)10-15-6-2/h12,15H,5-11H2,1-4H3
InChIKeyUQBFCIZYHGGHMD-UHFFFAOYSA-N
XLogP2.03
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
N'-[[2-(ethylaminomethyl)phenyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436903
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419199
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyloxan-4-amine
CID 62433830
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62423737
N-[[4-(propoxymethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62450594
N-(2-methoxyethyl)-2-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62430675
N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62423693

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62436536) is N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1csc(CNCC)n1.
What is the InChIKey of N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is UQBFCIZYHGGHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4S/c1-5-7-18(9-8-17(3)4)11-13-12-19-14(16-13)10-15-6-2/h12,15H,5-11H2,1-4H3.
What are the key properties of N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 284.47 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62436536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).