N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine

C17H25N3S — CID 105347214

IUPACN-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN(C)Cc2cscn2)cc1
InChIInChI=1S/C17H25N3S/c1-4-18-9-14(2)16-7-5-15(6-8-16)10-20(3)11-17-12-21-13-19-17/h5-8,12-14,18H,4,9-11H2,1-3H3
InChIKeyWQKBQJPGVFJIBL-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.49
Rot. Bonds8

About N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine

N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine (PubChem CID 105347214) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
PubChem CID105347214
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(CN(C)Cc2cscn2)cc1
InChIInChI=1S/C17H25N3S/c1-4-18-9-14(2)16-7-5-15(6-8-16)10-20(3)11-17-12-21-13-19-17/h5-8,12-14,18H,4,9-11H2,1-3H3
InChIKeyWQKBQJPGVFJIBL-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 47014021
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 105346933
1-N-ethyl-3-N,2-dimethyl-3-N-(1,3-thiazol-4-ylmethyl)butane-1,3-diamine
CID 81012095
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346750
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzoic acid
CID 54885489
N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075130
N-methyl-4-[(2-methylpropylamino)methyl]-N-(1,3-thiazol-4-ylmethyl)aniline
CID 63070347
N-[[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]furan-2-yl]methyl]ethanamine
CID 62426653
N-ethyl-2-[4-[[ethyl(propyl)amino]methyl]phenyl]propan-1-amine
CID 105346832
N,N',2-trimethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62427011
4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 55013686
2,2-diethyl-N'-methyl-N-(2-methylpropyl)-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 62257257

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine (CID 105347214) is N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine is CCNCC(C)c1ccc(CN(C)Cc2cscn2)cc1.
What is the InChIKey of N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine?
The InChIKey is WQKBQJPGVFJIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-4-18-9-14(2)16-7-5-15(6-8-16)10-20(3)11-17-12-21-13-19-17/h5-8,12-14,18H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine?
N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine has a molecular weight of 303.48 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).