N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine

C23H30N6OS — CID 110093602

IUPACN-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCc1ncc(CN2CCCC(c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1
InChIInChI=1S/C23H30N6OS/c1-16-9-20(28-23-27-17(2)15-31-23)10-21(26-16)19-5-4-7-29(14-19)13-18-11-24-22(25-12-18)6-8-30-3/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,26,27,28)
InChIKeySNWBFVRJGMWBNT-UHFFFAOYSA-N
MW438.60 g/mol
LogP4.26
Rot. Bonds8

About N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine

N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 110093602) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID110093602
Molecular FormulaC23H30N6OS
Molecular Weight438.60 g/mol
Exact Mass438.22
IUPAC NameN-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOCCc1ncc(CN2CCCC(c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1
InChIInChI=1S/C23H30N6OS/c1-16-9-20(28-23-27-17(2)15-31-23)10-21(26-16)19-5-4-7-29(14-19)13-18-11-24-22(25-12-18)6-8-30-3/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,26,27,28)
InChIKeySNWBFVRJGMWBNT-UHFFFAOYSA-N
XLogP4.26
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(3S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-N-(3-methyl-2-pyridinyl)pyridin-4-amine
CID 95834977
N-[2-[(2R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832813
N-[2-[(2S)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-6-methyl-4-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 95832812
2-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
CID 110093582
2-[(3R)-1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92611352
(2,4-dimethylpyrimidin-5-yl)-[3-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093591
N-[3-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]pyrazin-2-yl]-4-methyl-1,3-thiazol-2-amine
CID 95823698
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
5-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-4-yl]-6-methyl-4-pyridinyl]pyridin-2-amine
CID 92617305
3-(4-methoxyphenyl)-1-[2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110262802
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
(2S)-2-(4-benzyl-6-methyl-2-pyridinyl)-4-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]morpholine
CID 124988726

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 110093602) is N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine is COCCc1ncc(CN2CCCC(c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cn1.
What is the InChIKey of N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is SNWBFVRJGMWBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-16-9-20(28-23-27-17(2)15-31-23)10-21(26-16)19-5-4-7-29(14-19)13-18-11-24-22(25-12-18)6-8-30-3/h9-12,15,19H,4-8,13-14H2,1-3H3,(H,26,27,28).
What are the key properties of N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 438.60 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(2-methoxyethyl)pyrimidin-5-yl]methyl]piperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110093602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).