N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C18H23N5OS — CID 42960957

IUPACN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CCN(c4ncccn4)CC3)sc2C1
InChIInChI=1S/C18H23N5OS/c1-12-3-4-14-15(11-12)25-18(21-14)22-16(24)13-5-9-23(10-6-13)17-19-7-2-8-20-17/h2,7-8,12-13H,3-6,9-11H2,1H3,(H,21,22,24)
InChIKeyOLNCGLXZWPGFTG-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.91
Rot. Bonds3

About N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 42960957) has the molecular formula C18H23N5OS and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID42960957
Molecular FormulaC18H23N5OS
Molecular Weight357.48 g/mol
Exact Mass357.16
IUPAC NameN-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCC1CCc2nc(NC(=O)C3CCN(c4ncccn4)CC3)sc2C1
InChIInChI=1S/C18H23N5OS/c1-12-3-4-14-15(11-12)25-18(21-14)22-16(24)13-5-9-23(10-6-13)17-19-7-2-8-20-17/h2,7-8,12-13H,3-6,9-11H2,1H3,(H,21,22,24)
InChIKeyOLNCGLXZWPGFTG-UHFFFAOYSA-N
XLogP2.91
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601845
1-(6-cyclopropylpyrimidin-4-yl)-N-(4-methylthiazol-2-yl)piperidine-4-carboxamide
CID 76146825
3-(2-methylpyrimidin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 154797839
1-[4-[5-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclohexa-2,4-dien-1-yl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 144204972
N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 161396238
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 2945302
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24575544
3-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]-N-1,3-thiazol-2-ylpropanamide
CID 56702547
6-Piperazin-1-yl-4-pyrimidin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 20072903
N-[5-[[3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135072
N-[5-[[(3S)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135073
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 42960957) is N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is CC1CCc2nc(NC(=O)C3CCN(c4ncccn4)CC3)sc2C1.
What is the InChIKey of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is OLNCGLXZWPGFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS/c1-12-3-4-14-15(11-12)25-18(21-14)22-16(24)13-5-9-23(10-6-13)17-19-7-2-8-20-17/h2,7-8,12-13H,3-6,9-11H2,1H3,(H,21,22,24).
What are the key properties of N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 42960957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).