N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine

C15H18N2OS — CID 15956090

IUPACN-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CCOc1cc(Nc2nccs2)ccc1C
InChIInChI=1S/C15H18N2OS/c1-11(2)6-8-18-14-10-13(5-4-12(14)3)17-15-16-7-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyZRCOUBBFKQRZLG-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.54
Rot. Bonds5

About N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine

N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 15956090) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID15956090
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)=CCOc1cc(Nc2nccs2)ccc1C
InChIInChI=1S/C15H18N2OS/c1-11(2)6-8-18-14-10-13(5-4-12(14)3)17-15-16-7-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyZRCOUBBFKQRZLG-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 578640
Thiourea, N-(2-(3-ethoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001172
Thiourea, N-(2-(3-propoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001084
5-bromo-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 16068639
4-(3,3-dimethylbutyrylamino)-2-methoxy-N-thiazol-2-ylbenzamide
CID 11473488
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956092
2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
N-[(3-ethoxy-2-prop-2-enoxyphenyl)methyl]-2-thiazolamine
CID 2214016
(4-Allyloxy-benzyl)-thiazol-2-yl-amine
CID 2215540
N-[4-chloro-3-[(Z)-3-methylpent-2-enoxy]phenyl]thiazol-2-amine
CID 15956109
(3-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 972986
N-(3-Methoxyphenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 1092468

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine (CID 15956090) is N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is CC(C)=CCOc1cc(Nc2nccs2)ccc1C.
What is the InChIKey of N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZRCOUBBFKQRZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11(2)6-8-18-14-10-13(5-4-12(14)3)17-15-16-7-9-19-15/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15956090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).