2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide

C14H18N6O2S — CID 56894900

IUPAC2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NCc2cc(N3CCOCC3)ncn2)cs1
InChIInChI=1S/C14H18N6O2S/c1-15-14-19-11(8-23-14)13(21)16-7-10-6-12(18-9-17-10)20-2-4-22-5-3-20/h6,8-9H,2-5,7H2,1H3,(H,15,19)(H,16,21)
InChIKeyVOYLPRUDFIIUGS-UHFFFAOYSA-N
MW334.41 g/mol
LogP0.74
Rot. Bonds5

About 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 56894900) has the molecular formula C14H18N6O2S and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID56894900
Molecular FormulaC14H18N6O2S
Molecular Weight334.41 g/mol
Exact Mass334.12
IUPAC Name2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCNc1nc(C(=O)NCc2cc(N3CCOCC3)ncn2)cs1
InChIInChI=1S/C14H18N6O2S/c1-15-14-19-11(8-23-14)13(21)16-7-10-6-12(18-9-17-10)20-2-4-22-5-3-20/h6,8-9H,2-5,7H2,1H3,(H,15,19)(H,16,21)
InChIKeyVOYLPRUDFIIUGS-UHFFFAOYSA-N
XLogP0.74
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-4-methyl-N-{[6-(4-morpholinyl)-4-pyrimidinyl]methyl}-1,3-thiazole-5-carboxamide
CID 70765357
N,N,6-trimethyl-2-[4-(1,3-thiazol-4-ylmethyl)morpholin-3-yl]pyrimidin-4-amine
CID 110113840
[2-[2-Methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271885
N-[cis-3-(6-morpholin-4-ylpyrimidin-4-yl)cyclobutyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 91793720
5,6-dimethyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 72875554
(2-Methylthiazol-4-yl)(4-(6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91631491
N,N,4-trimethyl-2-(6-morpholinopyrimidine-4-carboxamido)thiazole-5-carboxamide
CID 92104888
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 68498894
N-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889641
[2-(Ethylamino)-1,3-thiazol-4-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 132383488
Morpholino(2-(pyrimidin-2-ylamino)thiazol-4-yl)methanone
CID 49670069
Ethyl 4-(2-((4,6-dimethylpyrimidin-2-yl)amino)thiazole-4-carbonyl)piperazine-1-carboxylate
CID 49670106

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 56894900) is 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide is CNc1nc(C(=O)NCc2cc(N3CCOCC3)ncn2)cs1.
What is the InChIKey of 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is VOYLPRUDFIIUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2S/c1-15-14-19-11(8-23-14)13(21)16-7-10-6-12(18-9-17-10)20-2-4-22-5-3-20/h6,8-9H,2-5,7H2,1H3,(H,15,19)(H,16,21).
What are the key properties of 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 334.41 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56894900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).