N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

C14H13ClN4OS — CID 133430389

IUPACN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C14H13ClN4OS/c1-8-13(10-3-5-11(15)6-4-10)20-12(17-8)7-16-14-18-9(2)19-21-14/h3-6H,7H2,1-2H3,(H,16,18,19)
InChIKeyTXVDCPAIPCEKRI-UHFFFAOYSA-N
MW320.81 g/mol
LogP4.08
Rot. Bonds4

About N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine

N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 133430389) has the molecular formula C14H13ClN4OS and a molecular weight of 320.81 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID133430389
Molecular FormulaC14H13ClN4OS
Molecular Weight320.81 g/mol
Exact Mass320.05
IUPAC NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1
InChIInChI=1S/C14H13ClN4OS/c1-8-13(10-3-5-11(15)6-4-10)20-12(17-8)7-16-14-18-9(2)19-21-14/h3-6H,7H2,1-2H3,(H,16,18,19)
InChIKeyTXVDCPAIPCEKRI-UHFFFAOYSA-N
XLogP4.08
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine (CID 133430389) is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NCc2nc(C)c(-c3ccc(Cl)cc3)o2)n1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is TXVDCPAIPCEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS/c1-8-13(10-3-5-11(15)6-4-10)20-12(17-8)7-16-14-18-9(2)19-21-14/h3-6H,7H2,1-2H3,(H,16,18,19).
What are the key properties of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine?
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 320.81 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133430389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).