N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide

C14H21N3OS — CID 110398101

IUPACN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)C1CCC1
InChIInChI=1S/C14H21N3OS/c18-13(11-4-3-5-11)15-7-6-12-10-19-14(16-12)17-8-1-2-9-17/h10-11H,1-9H2,(H,15,18)
InChIKeyINKIQTYPBQEDEQ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.20
Rot. Bonds5

About N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide

N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide (PubChem CID 110398101) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
PubChem CID110398101
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC NameN-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
SMILESO=C(NCCc1csc(N2CCCC2)n1)C1CCC1
InChIInChI=1S/C14H21N3OS/c18-13(11-4-3-5-11)15-7-6-12-10-19-14(16-12)17-8-1-2-9-17/h10-11H,1-9H2,(H,15,18)
InChIKeyINKIQTYPBQEDEQ-UHFFFAOYSA-N
XLogP2.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 110398155
(2S,5R)-5-(aminomethyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 120800688
N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 71802186
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
2,2-dimethyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398156
(3aR,7aR)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 97010506
(2R,3S)-2-methyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide
CID 120941910
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]urea
CID 111507108
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
N-(2-aminoethyl)-1-(4-ethyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 63253107

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide (CID 110398101) is N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide is O=C(NCCc1csc(N2CCCC2)n1)C1CCC1.
What is the InChIKey of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide?
The InChIKey is INKIQTYPBQEDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c18-13(11-4-3-5-11)15-7-6-12-10-19-14(16-12)17-8-1-2-9-17/h10-11H,1-9H2,(H,15,18).
What are the key properties of N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide?
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide has a molecular weight of 279.41 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 110398101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).