N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide

C15H18N4O2S — CID 29482112

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2N2CCOCC2)sc1C
InChIInChI=1S/C15H18N4O2S/c1-10-11(2)22-15(17-10)18-14(20)12-4-3-5-16-13(12)19-6-8-21-9-7-19/h3-5H,6-9H2,1-2H3,(H,17,18,20)
InChIKeyHFPRUARWEGCBEJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.24
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 29482112) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID29482112
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1nc(NC(=O)c2cccnc2N2CCOCC2)sc1C
InChIInChI=1S/C15H18N4O2S/c1-10-11(2)22-15(17-10)18-14(20)12-4-3-5-16-13(12)19-6-8-21-9-7-19/h3-5H,6-9H2,1-2H3,(H,17,18,20)
InChIKeyHFPRUARWEGCBEJ-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 29482112) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide is Cc1nc(NC(=O)c2cccnc2N2CCOCC2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is HFPRUARWEGCBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-11(2)22-15(17-10)18-14(20)12-4-3-5-16-13(12)19-6-8-21-9-7-19/h3-5H,6-9H2,1-2H3,(H,17,18,20).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 29482112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).