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

C16H22N2S — CID 54883751

IUPAC4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-5-15-18-11-14(19-15)10-17-13-8-6-12(7-9-13)16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyZTCMUZPORIWGBI-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.62
Rot. Bonds4

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

4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (PubChem CID 54883751) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
PubChem CID54883751
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
SMILESCCc1ncc(CNc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C16H22N2S/c1-5-15-18-11-14(19-15)10-17-13-8-6-12(7-9-13)16(2,3)4/h6-9,11,17H,5,10H2,1-4H3
InChIKeyZTCMUZPORIWGBI-UHFFFAOYSA-N
XLogP4.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 54883135
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313
1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
CID 60983648
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
2-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 54883090
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 60982260
4-tert-butyl-N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
CID 112755253
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzoic acid
CID 54883431
5-ethyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924677
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The IUPAC name of 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline (CID 54883751) is 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is CCc1ncc(CNc2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
The InChIKey is ZTCMUZPORIWGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-5-15-18-11-14(19-15)10-17-13-8-6-12(7-9-13)16(2,3)4/h6-9,11,17H,5,10H2,1-4H3.
What are the key properties of 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline?
4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline has a molecular weight of 274.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline is sourced from PubChem (CID 54883751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).