5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine

C14H17ClN2OS — CID 79775252

IUPAC5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1OCc1cnc(N)s1
InChIInChI=1S/C14H17ClN2OS/c1-8(2)11-5-13(9(3)4-12(11)15)18-7-10-6-17-14(16)19-10/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyLVTZBTUDTDHHCA-UHFFFAOYSA-N
MW296.82 g/mol
LogP4.39
Rot. Bonds4

About 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine

5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine (PubChem CID 79775252) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
PubChem CID79775252
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1OCc1cnc(N)s1
InChIInChI=1S/C14H17ClN2OS/c1-8(2)11-5-13(9(3)4-12(11)15)18-7-10-6-17-14(16)19-10/h4-6,8H,7H2,1-3H3,(H2,16,17)
InChIKeyLVTZBTUDTDHHCA-UHFFFAOYSA-N
XLogP4.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774221
4-bromo-2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene
CID 55192997
5-[(2-chloro-4-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79774879
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63416095
5-[(4-bromo-2-methylphenoxy)methyl]-1,3-thiazol-2-amine
CID 79773932
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397508
1-chloro-4-(3-chloropropoxy)-5-methyl-2-propan-2-ylbenzene
CID 43169722
2-bromo-5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 115557507
1-chloro-4-(2-methoxyethoxy)-5-methyl-2-propan-2-ylbenzene
CID 112812708
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-methylpyrimidin-2-amine
CID 80875257
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-2-methylpropanenitrile
CID 43174896
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)butanenitrile
CID 43351983

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine (CID 79775252) is 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine is Cc1cc(Cl)c(C(C)C)cc1OCc1cnc(N)s1.
What is the InChIKey of 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
The InChIKey is LVTZBTUDTDHHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-8(2)11-5-13(9(3)4-12(11)15)18-7-10-6-17-14(16)19-10/h4-6,8H,7H2,1-3H3,(H2,16,17).
What are the key properties of 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine?
5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine has a molecular weight of 296.82 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79775252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).