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

C11H16N4S3 — CID 82432074

IUPACN-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CSC)sc1-c1nnc(NC)s1
InChIInChI=1S/C11H16N4S3/c1-4-5-7-9(17-8(13-7)6-16-3)10-14-15-11(12-2)18-10/h4-6H2,1-3H3,(H,12,15)
InChIKeyUSPKVHILXCRKMI-UHFFFAOYSA-N
MW300.48 g/mol
LogP3.52
Rot. Bonds6

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

N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82432074) has the molecular formula C11H16N4S3 and a molecular weight of 300.48 g/mol. Its IUPAC name is N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82432074
Molecular FormulaC11H16N4S3
Molecular Weight300.48 g/mol
Exact Mass300.05
IUPAC NameN-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESCCCc1nc(CSC)sc1-c1nnc(NC)s1
InChIInChI=1S/C11H16N4S3/c1-4-5-7-9(17-8(13-7)6-16-3)10-14-15-11(12-2)18-10/h4-6H2,1-3H3,(H,12,15)
InChIKeyUSPKVHILXCRKMI-UHFFFAOYSA-N
XLogP3.52
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

5-[4-cyclopropyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436705
N-methyl-5-(4-methyl-2-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82425771
5-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 82436177
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
2-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432070
N-butan-2-yl-5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82431304
1-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]ethanamine
CID 82432080
N-ethyl-5-(4-ethyl-2-methyl-1,3-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
CID 82428133
N-[[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82429206
N-[[2-(methylsulfanylmethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
CID 64717715
N-methyl-5-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82426550
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82432074) is N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is CCCc1nc(CSC)sc1-c1nnc(NC)s1.
What is the InChIKey of N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is USPKVHILXCRKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S3/c1-4-5-7-9(17-8(13-7)6-16-3)10-14-15-11(12-2)18-10/h4-6H2,1-3H3,(H,12,15).
What are the key properties of N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 300.48 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(methylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82432074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).