4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine

C16H17N5S2 — CID 2147269

IUPAC4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCn1c(Cc2csc(N)n2)nnc1SC/C=C/c1ccccc1
InChIInChI=1S/C16H17N5S2/c1-21-14(10-13-11-23-15(17)18-13)19-20-16(21)22-9-5-8-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H2,17,18)/b8-5+
InChIKeyMDNFMFRWNSDRPA-VMPITWQZSA-N
MW343.48 g/mol
LogP3.25
Rot. Bonds6

About 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine

4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 2147269) has the molecular formula C16H17N5S2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine
PubChem CID2147269
Molecular FormulaC16H17N5S2
Molecular Weight343.48 g/mol
Exact Mass343.09
IUPAC Name4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine
SMILESCn1c(Cc2csc(N)n2)nnc1SC/C=C/c1ccccc1
InChIInChI=1S/C16H17N5S2/c1-21-14(10-13-11-23-15(17)18-13)19-20-16(21)22-9-5-8-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H2,17,18)/b8-5+
InChIKeyMDNFMFRWNSDRPA-VMPITWQZSA-N
XLogP3.25
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(2-propynylsulfanyl)-4H-1,2,4-triazole
CID 4268460
4-methyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-5-(methylsulfanyl)-4H-1,2,4-triazole
CID 1478785
2-((5-((2-aminothiazol-4-yl)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
CID 2064352
(E)-5-(4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)-4-methylthiazol-2-amine
CID 5738848
allyl 4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazol-3-yl sulfide
CID 3535025
2-(5-Benzyl-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4,5-dimethyl-thiazol-2-yl)-acetamide
CID 647604
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1071743
N-(4-methylphenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-2-amine
CID 2086058
4-phenyl-2-({5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}methyl)-1,3-thiazole
CID 2317564
3-(4-Isopropylthiazol-2-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 49844563
2-[[4-ethyl-5-[(4-fluorophenyl)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 3157959
2-benzyl-4-[(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-1,3-thiazole
CID 53569944

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine (CID 2147269) is 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine is Cn1c(Cc2csc(N)n2)nnc1SC/C=C/c1ccccc1.
What is the InChIKey of 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is MDNFMFRWNSDRPA-VMPITWQZSA-N. The full InChI is InChI=1S/C16H17N5S2/c1-21-14(10-13-11-23-15(17)18-13)19-20-16(21)22-9-5-8-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H2,17,18)/b8-5+.
What are the key properties of 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine?
4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 343.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).