5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H14N4OS3 — CID 124609482

IUPAC5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2csc([C@@H](C)OC)n2)s1
InChIInChI=1S/C10H14N4OS3/c1-6(15-3)8-12-7(4-16-8)5-17-10-14-13-9(11-2)18-10/h4,6H,5H2,1-3H3,(H,11,13)/t6-/m1/s1
InChIKeyHCUVEBDECOFVDI-ZCFIWIBFSA-N
MW302.45 g/mol
LogP3.04
Rot. Bonds6

About 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 124609482) has the molecular formula C10H14N4OS3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID124609482
Molecular FormulaC10H14N4OS3
Molecular Weight302.45 g/mol
Exact Mass302.03
IUPAC Name5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(SCc2csc([C@@H](C)OC)n2)s1
InChIInChI=1S/C10H14N4OS3/c1-6(15-3)8-12-7(4-16-8)5-17-10-14-13-9(11-2)18-10/h4,6H,5H2,1-3H3,(H,11,13)/t6-/m1/s1
InChIKeyHCUVEBDECOFVDI-ZCFIWIBFSA-N
XLogP3.04
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-ethyl-2-(1-methoxyethyl)-1,3-thiazole
CID 115680000
3-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methylsulfanyl]-5,6-dimethylpyridazine-4-carbonitrile
CID 75501154
5-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 119042316
5-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 38867811
5-[(6-methoxy-2-pyridinyl)methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 119041712
5-ethylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 6453071
2,5-bis[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazole
CID 55665665
5-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 18269339
5-butylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 14601483
5-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 16594198
5-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 2388230
5-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 38869354

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 124609482) is 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(SCc2csc([C@@H](C)OC)n2)s1.
What is the InChIKey of 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is HCUVEBDECOFVDI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N4OS3/c1-6(15-3)8-12-7(4-16-8)5-17-10-14-13-9(11-2)18-10/h4,6H,5H2,1-3H3,(H,11,13)/t6-/m1/s1.
What are the key properties of 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 302.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(1R)-1-methoxyethyl]-1,3-thiazol-4-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 124609482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).