5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine

C13H10ClN3OS2 — CID 43249855

IUPAC5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2ncc(-c3ccc(Cl)cc3)o2)s1
InChIInChI=1S/C13H10ClN3OS2/c14-9-3-1-8(2-4-9)10-5-16-11(18-10)7-19-12-6-17-13(15)20-12/h1-6H,7H2,(H2,15,17)
InChIKeyBRLVDJFTZGCLMI-UHFFFAOYSA-N
MW323.83 g/mol
LogP4.33
Rot. Bonds4

About 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine

5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249855) has the molecular formula C13H10ClN3OS2 and a molecular weight of 323.83 g/mol. Its IUPAC name is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249855
Molecular FormulaC13H10ClN3OS2
Molecular Weight323.83 g/mol
Exact Mass323.00
IUPAC Name5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
SMILESNc1ncc(SCc2ncc(-c3ccc(Cl)cc3)o2)s1
InChIInChI=1S/C13H10ClN3OS2/c14-9-3-1-8(2-4-9)10-5-16-11(18-10)7-19-12-6-17-13(15)20-12/h1-6H,7H2,(H2,15,17)
InChIKeyBRLVDJFTZGCLMI-UHFFFAOYSA-N
XLogP4.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.83
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249825
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]pyridin-2-amine
CID 43301714
2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-6-methylpyrimidin-4-amine
CID 17450235
[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl carbamimidothioate
CID 65211720
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]propane-1,2-diol
CID 79682966
5-(4-chlorophenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole
CID 24591814
N-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenyl]acetamide
CID 8819518
5-[(6-chloro-3-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250005
5-(furan-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 43243212
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]butan-1-ol
CID 65416210
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 27068790
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16601553

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine (CID 43249855) is 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine is Nc1ncc(SCc2ncc(-c3ccc(Cl)cc3)o2)s1.
What is the InChIKey of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is BRLVDJFTZGCLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS2/c14-9-3-1-8(2-4-9)10-5-16-11(18-10)7-19-12-6-17-13(15)20-12/h1-6H,7H2,(H2,15,17).
What are the key properties of 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine?
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 323.83 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).