(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine

C14H17N3OS — CID 10446103

IUPAC(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine
SMILESCCCC1CN=C(/N=c2\sc3ccccc3n2C)O1
InChIInChI=1S/C14H17N3OS/c1-3-6-10-9-15-13(18-10)16-14-17(2)11-7-4-5-8-12(11)19-14/h4-5,7-8,10H,3,6,9H2,1-2H3/b16-14-
InChIKeyWLBOPOPYAHNYHW-PEZBUJJGSA-N
MW275.38 g/mol
LogP2.70
Rot. Bonds2

About (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine

(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine (PubChem CID 10446103) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine
PubChem CID10446103
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine
SMILESCCCC1CN=C(/N=c2\sc3ccccc3n2C)O1
InChIInChI=1S/C14H17N3OS/c1-3-6-10-9-15-13(18-10)16-14-17(2)11-7-4-5-8-12(11)19-14/h4-5,7-8,10H,3,6,9H2,1-2H3/b16-14-
InChIKeyWLBOPOPYAHNYHW-PEZBUJJGSA-N
XLogP2.70
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine?
The IUPAC name of (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine (CID 10446103) is (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine.
What is the SMILES notation for (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine?
The canonical SMILES for (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine is CCCC1CN=C(/N=c2\sc3ccccc3n2C)O1.
What is the InChIKey of (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine?
The InChIKey is WLBOPOPYAHNYHW-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-3-6-10-9-15-13(18-10)16-14-17(2)11-7-4-5-8-12(11)19-14/h4-5,7-8,10H,3,6,9H2,1-2H3/b16-14-.
What are the key properties of (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine?
(Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine has a molecular weight of 275.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-N-(5-propyl-4,5-dihydro-1,3-oxazol-2-yl)-1,3-benzothiazol-2-imine is sourced from PubChem (CID 10446103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).