2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

C15H18N4O2S2 — CID 91760407

IUPAC2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1csc(N2CCOCC2)n1
InChIInChI=1S/C15H18N4O2S2/c1-22-14-12(3-2-4-16-14)13(20)17-9-11-10-23-15(18-11)19-5-7-21-8-6-19/h2-4,10H,5-9H2,1H3,(H,17,20)
InChIKeySQVSUPYHQICHHU-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.03
Rot. Bonds5

About 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide

2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 91760407) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID91760407
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCc1csc(N2CCOCC2)n1
InChIInChI=1S/C15H18N4O2S2/c1-22-14-12(3-2-4-16-14)13(20)17-9-11-10-23-15(18-11)19-5-7-21-8-6-19/h2-4,10H,5-9H2,1H3,(H,17,20)
InChIKeySQVSUPYHQICHHU-UHFFFAOYSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-[1,2]oxazolo[3,4-b]pyridine-3-carboxamide
CID 138807113
N-ethyl-2-methylsulfanylpyridine-3-carboxamide
CID 18712295
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120604
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
CID 162634908
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 32587833
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
N-[(2R)-2-hydroxypropyl]-2-methylsulfanylpyridine-3-carboxamide
CID 83032320
2-[4-[[(2-methylsulfanylpyridine-3-carbonyl)amino]methyl]triazol-1-yl]acetic acid
CID 115457541

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide (CID 91760407) is 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is CSc1ncccc1C(=O)NCc1csc(N2CCOCC2)n1.
What is the InChIKey of 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is SQVSUPYHQICHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-22-14-12(3-2-4-16-14)13(20)17-9-11-10-23-15(18-11)19-5-7-21-8-6-19/h2-4,10H,5-9H2,1H3,(H,17,20).
What are the key properties of 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide?
2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 91760407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).