N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine

C14H13N3O2S — CID 167993102

IUPACN-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ocnc3C)cs2)c1
InChIInChI=1S/C14H13N3O2S/c1-9-13(19-8-15-9)12-7-20-14(17-12)16-10-4-3-5-11(6-10)18-2/h3-8H,1-2H3,(H,16,17)
InChIKeyBQHIMQTYVWJUKB-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.86
Rot. Bonds4

About N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine

N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine (PubChem CID 167993102) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
PubChem CID167993102
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3ocnc3C)cs2)c1
InChIInChI=1S/C14H13N3O2S/c1-9-13(19-8-15-9)12-7-20-14(17-12)16-10-4-3-5-11(6-10)18-2/h3-8H,1-2H3,(H,16,17)
InChIKeyBQHIMQTYVWJUKB-UHFFFAOYSA-N
XLogP3.86
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethyl-1,3-oxazol-5-yl)-N-(3-methoxyphenyl)-1,3-thiazol-2-amine
CID 167752190
N-(6-chloro-3-pyridinyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167885654
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
4-[[4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-yl]amino]benzonitrile
CID 167929287
4-methoxy-N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5178891
N-(3-methoxyphenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910966
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3265729
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
CID 42765515
3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenol
CID 768029
6-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9264375
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-2-phenylacetamide
CID 5037390

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine (CID 167993102) is N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3ocnc3C)cs2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
The InChIKey is BQHIMQTYVWJUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-13(19-8-15-9)12-7-20-14(17-12)16-10-4-3-5-11(6-10)18-2/h3-8H,1-2H3,(H,16,17).
What are the key properties of N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine?
N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine has a molecular weight of 287.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 167993102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).