(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

C18H20N6O2S2 — CID 127251619

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCc1cc(Nc2nncs2)cc(C2CN(C(=O)c3sc(C)nc3C)CCO2)n1
InChIInChI=1S/C18H20N6O2S2/c1-10-6-13(22-18-23-19-9-27-18)7-14(20-10)15-8-24(4-5-26-15)17(25)16-11(2)21-12(3)28-16/h6-7,9,15H,4-5,8H2,1-3H3,(H,20,22,23)
InChIKeyVCKVOVBFDZRDTF-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.27
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 127251619) has the molecular formula C18H20N6O2S2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID127251619
Molecular FormulaC18H20N6O2S2
Molecular Weight416.53 g/mol
Exact Mass416.11
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCc1cc(Nc2nncs2)cc(C2CN(C(=O)c3sc(C)nc3C)CCO2)n1
InChIInChI=1S/C18H20N6O2S2/c1-10-6-13(22-18-23-19-9-27-18)7-14(20-10)15-8-24(4-5-26-15)17(25)16-11(2)21-12(3)28-16/h6-7,9,15H,4-5,8H2,1-3H3,(H,20,22,23)
InChIKeyVCKVOVBFDZRDTF-UHFFFAOYSA-N
XLogP3.27
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 127251619) is (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is Cc1cc(Nc2nncs2)cc(C2CN(C(=O)c3sc(C)nc3C)CCO2)n1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is VCKVOVBFDZRDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S2/c1-10-6-13(22-18-23-19-9-27-18)7-14(20-10)15-8-24(4-5-26-15)17(25)16-11(2)21-12(3)28-16/h6-7,9,15H,4-5,8H2,1-3H3,(H,20,22,23).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 416.53 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[2-[6-methyl-4-(1,3,4-thiadiazol-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 127251619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).