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

C15H15ClN4S2 — CID 133493717

IUPAC5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(C)c(CNc2nnc(Cc3ccc(Cl)cc3)s2)s1
InChIInChI=1S/C15H15ClN4S2/c1-9-13(21-10(2)18-9)8-17-15-20-19-14(22-15)7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyBHAVDIHLORTHNV-UHFFFAOYSA-N
MW350.90 g/mol
LogP4.47
Rot. Bonds5

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

5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133493717) has the molecular formula C15H15ClN4S2 and a molecular weight of 350.90 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133493717
Molecular FormulaC15H15ClN4S2
Molecular Weight350.90 g/mol
Exact Mass350.04
IUPAC Name5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(C)c(CNc2nnc(Cc3ccc(Cl)cc3)s2)s1
InChIInChI=1S/C15H15ClN4S2/c1-9-13(21-10(2)18-9)8-17-15-20-19-14(22-15)7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)
InChIKeyBHAVDIHLORTHNV-UHFFFAOYSA-N
XLogP4.47
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

5-[(4-chlorophenyl)methyl]-N-[(4-methylsulfinylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 133493725
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
[1-[[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropyl]methanol
CID 133494058
2-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-1-(3-methylphenyl)ethanol
CID 133494850
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 3383419
3-[[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-N,2,2-trimethylpropanamide
CID 133494986
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 79048062
2-(4-chlorophenoxy)-N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 3394597
1-(4-chlorophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 64542283
2-[2-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82425732
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2,2,2-trifluoroacetamide
CID 603022
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 133493717) is 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is Cc1nc(C)c(CNc2nnc(Cc3ccc(Cl)cc3)s2)s1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BHAVDIHLORTHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S2/c1-9-13(21-10(2)18-9)8-17-15-20-19-14(22-15)7-11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 350.90 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133493717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).