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

C14H13N3OS2 — CID 86645043

IUPACN-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nccs2)cc1OCc1nccs1
InChIInChI=1S/C14H13N3OS2/c1-10-2-3-11(17-14-16-5-7-20-14)8-12(10)18-9-13-15-4-6-19-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIZOZTVQHTZORRP-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.23
Rot. Bonds5

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

N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 86645043) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID86645043
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC NameN-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nccs2)cc1OCc1nccs1
InChIInChI=1S/C14H13N3OS2/c1-10-2-3-11(17-14-16-5-7-20-14)8-12(10)18-9-13-15-4-6-19-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyIZOZTVQHTZORRP-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Methylbut-2-enoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956096
N-[4-methyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956090
N-[4-ethyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956093
4-(Thiazol-2-ylamino)-2-(2-thienylmethoxy)benzonitrile
CID 15956103
4-(Thiazol-2-ylamino)-2-(thiazol-2-ylmethoxy)benzonitrile
CID 15956107
N-[3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956089
4-(Thiazol-2-ylamino)-2-(3-thienylmethoxy)benzonitrile
CID 15956105
2-(Cyclopenten-1-ylmethoxy)-4-(thiazol-2-ylamino)benzonitrile
CID 15956111
N-[3-(3-methylbut-2-enoxy)-4-propyl-phenyl]thiazol-2-amine
CID 15956094
N-[4-isopropyl-3-(3-methylbut-2-enoxy)phenyl]thiazol-2-amine
CID 15956095
N-(4-chloro-3-(thiazol-2-ylmethoxy)phenyl)thiazol-2-amine
CID 15956106
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine (CID 86645043) is N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nccs2)cc1OCc1nccs1.
What is the InChIKey of N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IZOZTVQHTZORRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-10-2-3-11(17-14-16-5-7-20-14)8-12(10)18-9-13-15-4-6-19-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine?
N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 303.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1,3-thiazol-2-ylmethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 86645043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).