N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline

C14H18N2S — CID 54883704

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
SMILESCCc1ncc(CNc2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H18N2S/c1-4-14-16-9-13(17-14)8-15-12-6-5-10(2)11(3)7-12/h5-7,9,15H,4,8H2,1-3H3
InChIKeyDNVINZCZOKEPRX-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.93
Rot. Bonds4

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline (PubChem CID 54883704) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
PubChem CID54883704
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
SMILESCCc1ncc(CNc2ccc(C)c(C)c2)s1
InChIInChI=1S/C14H18N2S/c1-4-14-16-9-13(17-14)8-15-12-6-5-10(2)11(3)7-12/h5-7,9,15H,4,8H2,1-3H3
InChIKeyDNVINZCZOKEPRX-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 60982260
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-fluoro-2-methylaniline
CID 54883805
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzoic acid
CID 54883431
N-[2-chloro-4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]methanesulfonamide
CID 60981950
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,4-dimethylaniline
CID 104878720
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-(3,4-dimethylphenyl)aniline
CID 168582409
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-5-methoxy-2-methylaniline
CID 113268236
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 54883135

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline (CID 54883704) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline is CCc1ncc(CNc2ccc(C)c(C)c2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline?
The InChIKey is DNVINZCZOKEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-4-14-16-9-13(17-14)8-15-12-6-5-10(2)11(3)7-12/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline has a molecular weight of 246.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline is sourced from PubChem (CID 54883704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).