[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C15H18N4O2S — CID 110272030

IUPAC[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCNc1ccc(C2CN(C(=O)c3scnc3C)CCO2)nc1
InChIInChI=1S/C15H18N4O2S/c1-10-14(22-9-18-10)15(20)19-5-6-21-13(8-19)12-4-3-11(16-2)7-17-12/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyJNFQCDPRRWVPSA-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.10
Rot. Bonds3

About [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 110272030) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID110272030
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCNc1ccc(C2CN(C(=O)c3scnc3C)CCO2)nc1
InChIInChI=1S/C15H18N4O2S/c1-10-14(22-9-18-10)15(20)19-5-6-21-13(8-19)12-4-3-11(16-2)7-17-12/h3-4,7,9,13,16H,5-6,8H2,1-2H3
InChIKeyJNFQCDPRRWVPSA-UHFFFAOYSA-N
XLogP2.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-6-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847922
(4-methyl-1,3-thiazol-5-yl)-[(2R)-2-pyridin-4-ylmorpholin-4-yl]methanone
CID 124998940
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 110271985
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110818
N-methyl-5-[2-methyl-6-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 124951336
2-methyl-4-[(2S)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168529
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847898
N-methyl-6-[4-(1,3-thiazole-4-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 110272012
[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 127250799
[2-[(2-chlorophenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 102604292
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230
N-(2-hydroxyethyl)-N-methyl-2-[(2R)-4-(4-methyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]quinoline-4-carboxamide
CID 92638455

Frequently Asked Questions

What is the IUPAC name of [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 110272030) is [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is CNc1ccc(C2CN(C(=O)c3scnc3C)CCO2)nc1.
What is the InChIKey of [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is JNFQCDPRRWVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-14(22-9-18-10)15(20)19-5-6-21-13(8-19)12-4-3-11(16-2)7-17-12/h3-4,7,9,13,16H,5-6,8H2,1-2H3.
What are the key properties of [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 318.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110272030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).