4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine

C12H17N5O2S2 — CID 103348887

IUPAC4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(Cn1cccn1)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H17N5O2S2/c1-8(7-17-6-2-5-14-17)15-12-10(11(13)16-20-12)21(18,19)9-3-4-9/h2,5-6,8-9,15H,3-4,7H2,1H3,(H2,13,16)
InChIKeyVCFMJDZLKAQNGR-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.36
Rot. Bonds6

About 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103348887) has the molecular formula C12H17N5O2S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103348887
Molecular FormulaC12H17N5O2S2
Molecular Weight327.44 g/mol
Exact Mass327.08
IUPAC Name4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(Cn1cccn1)Nc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C12H17N5O2S2/c1-8(7-17-6-2-5-14-17)15-12-10(11(13)16-20-12)21(18,19)9-3-4-9/h2,5-6,8-9,15H,3-4,7H2,1H3,(H2,13,16)
InChIKeyVCFMJDZLKAQNGR-UHFFFAOYSA-N
XLogP1.36
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.36
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-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine (CID 103348887) is 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine is CC(Cn1cccn1)Nc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is VCFMJDZLKAQNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S2/c1-8(7-17-6-2-5-14-17)15-12-10(11(13)16-20-12)21(18,19)9-3-4-9/h2,5-6,8-9,15H,3-4,7H2,1H3,(H2,13,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 327.44 g/mol, XLogP of 1.36, 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-(1-pyrazol-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).