4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine

C11H14N4O2S3 — CID 103349226

IUPAC4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cscn2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H14N4O2S3/c12-10-9(20(16,17)8-1-2-8)11(19-15-10)13-4-3-7-5-18-6-14-7/h5-6,8,13H,1-4H2,(H2,12,15)
InChIKeyPKVCURNOSIHWFK-UHFFFAOYSA-N
MW330.46 g/mol
LogP1.77
Rot. Bonds6

About 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103349226) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103349226
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCCc2cscn2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H14N4O2S3/c12-10-9(20(16,17)8-1-2-8)11(19-15-10)13-4-3-7-5-18-6-14-7/h5-6,8,13H,1-4H2,(H2,12,15)
InChIKeyPKVCURNOSIHWFK-UHFFFAOYSA-N
XLogP1.77
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103349226) is 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine is Nc1nsc(NCCc2cscn2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is PKVCURNOSIHWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c12-10-9(20(16,17)8-1-2-8)11(19-15-10)13-4-3-7-5-18-6-14-7/h5-6,8,13H,1-4H2,(H2,12,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 330.46 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[2-(1,3-thiazol-4-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).