5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C8H13N3O2S2 — CID 103382331

IUPAC5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCC1CC1
InChIInChI=1S/C8H13N3O2S2/c1-15(12,13)6-7(9)11-14-8(6)10-4-5-2-3-5/h5,10H,2-4H2,1H3,(H2,9,11)
InChIKeyLJROASIIUIDWIS-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.95
Rot. Bonds4

About 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103382331) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103382331
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCS(=O)(=O)c1c(N)nsc1NCC1CC1
InChIInChI=1S/C8H13N3O2S2/c1-15(12,13)6-7(9)11-14-8(6)10-4-5-2-3-5/h5,10H,2-4H2,1H3,(H2,9,11)
InChIKeyLJROASIIUIDWIS-UHFFFAOYSA-N
XLogP0.95
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103382331) is 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is CS(=O)(=O)c1c(N)nsc1NCC1CC1.
What is the InChIKey of 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is LJROASIIUIDWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-15(12,13)6-7(9)11-14-8(6)10-4-5-2-3-5/h5,10H,2-4H2,1H3,(H2,9,11).
What are the key properties of 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 247.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).