N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide

C19H20N6O2S — CID 91952635

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1csc(CNC(=O)c2cnc(N3CCOCC3)nc2-c2cccnc2)n1
InChIInChI=1S/C19H20N6O2S/c1-13-12-28-16(23-13)11-21-18(26)15-10-22-19(25-5-7-27-8-6-25)24-17(15)14-3-2-4-20-9-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,21,26)
InChIKeyPFBBXEKPWIAZGN-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.07
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 91952635) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID91952635
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCc1csc(CNC(=O)c2cnc(N3CCOCC3)nc2-c2cccnc2)n1
InChIInChI=1S/C19H20N6O2S/c1-13-12-28-16(23-13)11-21-18(26)15-10-22-19(25-5-7-27-8-6-25)24-17(15)14-3-2-4-20-9-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,21,26)
InChIKeyPFBBXEKPWIAZGN-UHFFFAOYSA-N
XLogP2.07
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-pyridin-3-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 91952583
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952538
4-morpholin-4-yl-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]benzamide
CID 126854137
4-methyl-2-morpholin-4-yl-N-(2-thiophen-2-ylethyl)pyrimidine-5-carboxamide
CID 20959640
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 43040329
2-morpholin-4-yl-4-(4-phenoxyphenyl)-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 11518860
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2-morpholin-4-yl-4-pyridin-4-ylpyrimidine-5-carboxamide
CID 91952530
3-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 110474815
2-(3-methylphenyl)-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 42670736
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide (CID 91952635) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide is Cc1csc(CNC(=O)c2cnc(N3CCOCC3)nc2-c2cccnc2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is PFBBXEKPWIAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-13-12-28-16(23-13)11-21-18(26)15-10-22-19(25-5-7-27-8-6-25)24-17(15)14-3-2-4-20-9-14/h2-4,9-10,12H,5-8,11H2,1H3,(H,21,26).
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 396.48 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-morpholin-4-yl-4-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 91952635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).