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

C17H19ClN4OS — CID 133491495

IUPACN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nc(CNc2nc(CC(C)C)ns2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4OS/c1-10(2)8-14-21-17(24-22-14)19-9-15-20-11(3)16(23-15)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,21,22)
InChIKeyVQKSPHMJNFPTEO-UHFFFAOYSA-N
MW362.89 g/mol
LogP4.97
Rot. Bonds6

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

N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133491495) has the molecular formula C17H19ClN4OS and a molecular weight of 362.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID133491495
Molecular FormulaC17H19ClN4OS
Molecular Weight362.89 g/mol
Exact Mass362.10
IUPAC NameN-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nc(CNc2nc(CC(C)C)ns2)oc1-c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN4OS/c1-10(2)8-14-21-17(24-22-14)19-9-15-20-11(3)16(23-15)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,21,22)
InChIKeyVQKSPHMJNFPTEO-UHFFFAOYSA-N
XLogP4.97
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.89
LogP ≤ 54.97
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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 133491495) is N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nc(CNc2nc(CC(C)C)ns2)oc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VQKSPHMJNFPTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4OS/c1-10(2)8-14-21-17(24-22-14)19-9-15-20-11(3)16(23-15)12-4-6-13(18)7-5-12/h4-7,10H,8-9H2,1-3H3,(H,19,21,22).
What are the key properties of N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N-[[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 362.89 g/mol, XLogP of 4.97, 6 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-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133491495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).