3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide

C16H23N3O2S — CID 121197644

IUPAC3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CCC(OCC2CC2)C1
InChIInChI=1S/C16H23N3O2S/c20-16(18-15-17-13-3-1-2-4-14(13)22-15)19-8-7-12(9-19)21-10-11-5-6-11/h11-12H,1-10H2,(H,17,18,20)
InChIKeyRZKQYAOZTZEKJO-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.05
Rot. Bonds4

About 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide

3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 121197644) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID121197644
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)N1CCC(OCC2CC2)C1
InChIInChI=1S/C16H23N3O2S/c20-16(18-15-17-13-3-1-2-4-14(13)22-15)19-8-7-12(9-19)21-10-11-5-6-11/h11-12H,1-10H2,(H,17,18,20)
InChIKeyRZKQYAOZTZEKJO-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
3-hydroxy-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperidine-1-carboxamide
CID 91641522
9-methyl-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 86778048
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 126946397
ethyl 1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylate
CID 102556073
(3S)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81126323
4-[(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126864766
3-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-1-carboxamide
CID 126900146
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 99841536
4-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126862292
4-[methyl-(6-methylpyrimidin-4-yl)amino]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 126889278
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide (CID 121197644) is 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1nc2c(s1)CCCC2)N1CCC(OCC2CC2)C1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is RZKQYAOZTZEKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-16(18-15-17-13-3-1-2-4-14(13)22-15)19-8-7-12(9-19)21-10-11-5-6-11/h11-12H,1-10H2,(H,17,18,20).
What are the key properties of 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide?
3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 121197644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).