4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine

C14H25N3O2S2 — CID 103349196

IUPAC4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCCCCN(c1snc(N)c1S(=O)(=O)C1CC1)C(C)C
InChIInChI=1S/C14H25N3O2S2/c1-4-5-6-9-17(10(2)3)14-12(13(15)16-20-14)21(18,19)11-7-8-11/h10-11H,4-9H2,1-3H3,(H2,15,16)
InChIKeyNJUWKYMSCVSXRP-UHFFFAOYSA-N
MW331.51 g/mol
LogP3.07
Rot. Bonds8

About 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine

4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine (PubChem CID 103349196) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
PubChem CID103349196
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
SMILESCCCCCN(c1snc(N)c1S(=O)(=O)C1CC1)C(C)C
InChIInChI=1S/C14H25N3O2S2/c1-4-5-6-9-17(10(2)3)14-12(13(15)16-20-14)21(18,19)11-7-8-11/h10-11H,4-9H2,1-3H3,(H2,15,16)
InChIKeyNJUWKYMSCVSXRP-UHFFFAOYSA-N
XLogP3.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine (CID 103349196) is 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine is CCCCCN(c1snc(N)c1S(=O)(=O)C1CC1)C(C)C.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
The InChIKey is NJUWKYMSCVSXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-5-6-9-17(10(2)3)14-12(13(15)16-20-14)21(18,19)11-7-8-11/h10-11H,4-9H2,1-3H3,(H2,15,16).
What are the key properties of 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine has a molecular weight of 331.51 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-pentyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103349196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).