N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C23H27N5O2S — CID 163276919

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H27N5O2S/c1-14-21(15(2)26-12-25-14)19-10-17(28-23(29)22-16(3)27-13-31-22)7-8-20(19)30-11-18-6-4-5-9-24-18/h7-8,10,12-13,18,24H,4-6,9,11H2,1-3H3,(H,28,29)/t18-/m1/s1
InChIKeyRYUOHHZDCOXCEC-GOSISDBHSA-N
MW437.57 g/mol
LogP4.30
Rot. Bonds6

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 163276919) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID163276919
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H27N5O2S/c1-14-21(15(2)26-12-25-14)19-10-17(28-23(29)22-16(3)27-13-31-22)7-8-20(19)30-11-18-6-4-5-9-24-18/h7-8,10,12-13,18,24H,4-6,9,11H2,1-3H3,(H,28,29)/t18-/m1/s1
InChIKeyRYUOHHZDCOXCEC-GOSISDBHSA-N
XLogP4.30
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide
CID 163276974
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163276925
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 163276994
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 176870030
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide
CID 176870041
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163277283
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-piperidin-3-yloxyphenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 176870016
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277064
N-(4-fluoro-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 99827913
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 163276919) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RYUOHHZDCOXCEC-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-14-21(15(2)26-12-25-14)19-10-17(28-23(29)22-16(3)27-13-31-22)7-8-20(19)30-11-18-6-4-5-9-24-18/h7-8,10,12-13,18,24H,4-6,9,11H2,1-3H3,(H,28,29)/t18-/m1/s1.
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 163276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).