N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C19H21N5O3S — CID 45197201

IUPACN-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCCN(c3nc4ccccc4s3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H21N5O3S/c1-22-14(10-16(25)23(2)19(22)27)17(26)20-12-6-5-9-24(11-12)18-21-13-7-3-4-8-15(13)28-18/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,20,26)
InChIKeyUXODVEPTBGCEKK-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.09
Rot. Bonds3

About N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 45197201) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID45197201
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCCN(c3nc4ccccc4s3)C2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H21N5O3S/c1-22-14(10-16(25)23(2)19(22)27)17(26)20-12-6-5-9-24(11-12)18-21-13-7-3-4-8-15(13)28-18/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,20,26)
InChIKeyUXODVEPTBGCEKK-UHFFFAOYSA-N
XLogP1.09
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide with MolForge

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Related Compounds

5-acetyl-N-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 26320561
5-acetyl-N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]thiophene-2-carboxamide
CID 45228990
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-4-methylthiadiazole-5-carboxamide
CID 25452095
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 45168499
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methylbutanamide
CID 56896130
1-[(3R)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-(3-methoxypropyl)urea
CID 7455185
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 45188448
N-[(3S)-1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-3-phenoxypropanamide
CID 42595942
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-2-methylpyrazole-3-carboxamide
CID 172892678
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
N-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]acetamide
CID 171335662
N-[1-(6-bromo-1,3-benzothiazol-2-yl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171997949

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 45197201) is N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)NC2CCCN(c3nc4ccccc4s3)C2)cc(=O)n(C)c1=O.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is UXODVEPTBGCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-22-14(10-16(25)23(2)19(22)27)17(26)20-12-6-5-9-24(11-12)18-21-13-7-3-4-8-15(13)28-18/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,20,26).
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 45197201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).