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

C12H20N4O3S2 — CID 103348829

IUPAC4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCN1CCOC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H20N4O3S2/c1-16-4-5-19-8(7-16)6-14-12-10(11(13)15-20-12)21(17,18)9-2-3-9/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyGGHFEMYUFQZSGU-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.40
Rot. Bonds5

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

4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103348829) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine
PubChem CID103348829
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine
SMILESCN1CCOC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H20N4O3S2/c1-16-4-5-19-8(7-16)6-14-12-10(11(13)15-20-12)21(17,18)9-2-3-9/h8-9,14H,2-7H2,1H3,(H2,13,15)
InChIKeyGGHFEMYUFQZSGU-UHFFFAOYSA-N
XLogP0.40
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.40
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-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine (CID 103348829) is 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine is CN1CCOC(CNc2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is GGHFEMYUFQZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-16-4-5-19-8(7-16)6-14-12-10(11(13)15-20-12)21(17,18)9-2-3-9/h8-9,14H,2-7H2,1H3,(H2,13,15).
What are the key properties of 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine?
4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 332.45 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-N-[(4-methylmorpholin-2-yl)methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103348829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).