N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide

C20H21N3O2S — CID 91778705

IUPACN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC(Cc3ccncc3)C3CC(O)C3)ccc2s1
InChIInChI=1S/C20H21N3O2S/c1-12-22-18-11-14(2-3-19(18)26-12)20(25)23-17(15-9-16(24)10-15)8-13-4-6-21-7-5-13/h2-7,11,15-17,24H,8-10H2,1H3,(H,23,25)
InChIKeyLTZUMEQZDYRLNT-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.11
Rot. Bonds5

About N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide (PubChem CID 91778705) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
PubChem CID91778705
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NC(Cc3ccncc3)C3CC(O)C3)ccc2s1
InChIInChI=1S/C20H21N3O2S/c1-12-22-18-11-14(2-3-19(18)26-12)20(25)23-17(15-9-16(24)10-15)8-13-4-6-21-7-5-13/h2-7,11,15-17,24H,8-10H2,1H3,(H,23,25)
InChIKeyLTZUMEQZDYRLNT-UHFFFAOYSA-N
XLogP3.11
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-(methylamino)pyridine-4-carboxamide
CID 91763983
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-4-methoxy-2-methylbenzamide
CID 91771484
6-cyano-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]pyridine-3-carboxamide
CID 91767901
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1-benzofuran-7-carboxamide
CID 91773704
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
CID 91776192
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-1,3-oxazole-5-carboxamide
CID 91764166
2-chloro-4-fluoro-N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]benzamide
CID 91789451
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
2-methyl-1,3-benzothiazole-5-carbonyl chloride
CID 45077000
2-methyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-5-carboxamide
CID 69268312
4-imidazol-1-yl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 110445417

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide (CID 91778705) is N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide is Cc1nc2cc(C(=O)NC(Cc3ccncc3)C3CC(O)C3)ccc2s1.
What is the InChIKey of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
The InChIKey is LTZUMEQZDYRLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-22-18-11-14(2-3-19(18)26-12)20(25)23-17(15-9-16(24)10-15)8-13-4-6-21-7-5-13/h2-7,11,15-17,24H,8-10H2,1H3,(H,23,25).
What are the key properties of N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-2-methyl-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 91778705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).