(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide

C16H24N4O3S2 — CID 142522860

IUPAC(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide
SMILESCc1cc(NC(N)=O)cc(C)n1.Cc1cc(S(N)=O)sc1C(C)(C)O
InChIInChI=1S/C8H11N3O.C8H13NO2S2/c1-5-3-7(11-8(9)12)4-6(2)10-5;1-5-4-6(13(9)11)12-7(5)8(2,3)10/h3-4H,1-2H3,(H3,9,10,11,12);4,10H,9H2,1-3H3
InChIKeyGMGKAABHKYCIJR-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.45
Rot. Bonds3

About (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide

(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide (PubChem CID 142522860) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide
PubChem CID142522860
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC Name(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide
SMILESCc1cc(NC(N)=O)cc(C)n1.Cc1cc(S(N)=O)sc1C(C)(C)O
InChIInChI=1S/C8H11N3O.C8H13NO2S2/c1-5-3-7(11-8(9)12)4-6(2)10-5;1-5-4-6(13(9)11)12-7(5)8(2,3)10/h3-4H,1-2H3,(H3,9,10,11,12);4,10H,9H2,1-3H3
InChIKeyGMGKAABHKYCIJR-UHFFFAOYSA-N
XLogP2.45
TPSA131.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide?
The IUPAC name of (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide (CID 142522860) is (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide is Cc1cc(NC(N)=O)cc(C)n1.Cc1cc(S(N)=O)sc1C(C)(C)O.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide?
The InChIKey is GMGKAABHKYCIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C8H13NO2S2/c1-5-3-7(11-8(9)12)4-6(2)10-5;1-5-4-6(13(9)11)12-7(5)8(2,3)10/h3-4H,1-2H3,(H3,9,10,11,12);4,10H,9H2,1-3H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide?
(2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide has a molecular weight of 384.53 g/mol, XLogP of 2.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl)urea;5-(2-hydroxypropan-2-yl)-4-methylthiophene-2-sulfinamide is sourced from PubChem (CID 142522860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).