(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

C19H21N5O2S — CID 137036839

IUPAC(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nc([C@H]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H21N5O2S/c1-11-20-16(9-18(25)21-11)13-4-3-7-24(10-13)19(26)23-14-5-6-15-17(8-14)27-12(2)22-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,23,26)(H,20,21,25)/t13-/m0/s1
InChIKeyYWZNOWJPIMZTBY-ZDUSSCGKSA-N
MW383.48 g/mol
LogP3.41
Rot. Bonds2

About (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide

(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (PubChem CID 137036839) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
PubChem CID137036839
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
SMILESCc1nc([C@H]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)C2)cc(=O)[nH]1
InChIInChI=1S/C19H21N5O2S/c1-11-20-16(9-18(25)21-11)13-4-3-7-24(10-13)19(26)23-14-5-6-15-17(8-14)27-12(2)22-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,23,26)(H,20,21,25)/t13-/m0/s1
InChIKeyYWZNOWJPIMZTBY-ZDUSSCGKSA-N
XLogP3.41
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988474
3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 110890733
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
(3S)-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-1-carboxamide
CID 97286184
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988379
N-(3-chloro-2-methylphenyl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136948058
2-methyl-4-[(3S)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136696054
4-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136861424
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)-N-(2-prop-2-enoxyphenyl)piperidine-1-carboxamide
CID 136998492
2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 118786185
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)piperidine-1-carboxamide
CID 71882352

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide (CID 137036839) is (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is Cc1nc([C@H]2CCCN(C(=O)Nc3ccc4nc(C)sc4c3)C2)cc(=O)[nH]1.
What is the InChIKey of (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
The InChIKey is YWZNOWJPIMZTBY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-11-20-16(9-18(25)21-11)13-4-3-7-24(10-13)19(26)23-14-5-6-15-17(8-14)27-12(2)22-15/h5-6,8-9,13H,3-4,7,10H2,1-2H3,(H,23,26)(H,20,21,25)/t13-/m0/s1.
What are the key properties of (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide?
(3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 137036839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).