1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

C23H25N3OS — CID 66684950

IUPAC1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C1(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H25N3OS/c27-21(23(12-13-23)22-25-18-10-4-5-11-20(18)28-22)24-16-19(26-14-6-7-15-26)17-8-2-1-3-9-17/h1-5,8-11,19H,6-7,12-16H2,(H,24,27)
InChIKeyOANYZSJKEQLWFK-UHFFFAOYSA-N
MW391.54 g/mol
LogP4.28
Rot. Bonds6

About 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide

1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (PubChem CID 66684950) has the molecular formula C23H25N3OS and a molecular weight of 391.54 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
PubChem CID66684950
Molecular FormulaC23H25N3OS
Molecular Weight391.54 g/mol
Exact Mass391.17
IUPAC Name1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCCC1)C1(c2nc3ccccc3s2)CC1
InChIInChI=1S/C23H25N3OS/c27-21(23(12-13-23)22-25-18-10-4-5-11-20(18)28-22)24-16-19(26-14-6-7-15-26)17-8-2-1-3-9-17/h1-5,8-11,19H,6-7,12-16H2,(H,24,27)
InChIKeyOANYZSJKEQLWFK-UHFFFAOYSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 65465775
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
1-[(1-hydroxycyclobutyl)methyl]-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]urea
CID 97215316
1-[3-(methanesulfonamidomethyl)phenyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685227
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 24619664
3-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 119831385
4-(3-fluorophenyl)-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]oxane-4-carboxamide
CID 92612290
3-chloro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]-1-benzothiophene-2-carboxamide
CID 35577406
2-amino-2-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 119831373
1-[(4-methylphenyl)methyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 46555638
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-triazole-4-carboxamide
CID 112732701
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008768

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide (CID 66684950) is 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is O=C(NCC(c1ccccc1)N1CCCC1)C1(c2nc3ccccc3s2)CC1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is OANYZSJKEQLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3OS/c27-21(23(12-13-23)22-25-18-10-4-5-11-20(18)28-22)24-16-19(26-14-6-7-15-26)17-8-2-1-3-9-17/h1-5,8-11,19H,6-7,12-16H2,(H,24,27).
What are the key properties of 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide?
1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 391.54 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-N-(2-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 66684950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).