cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone

C14H16N2OS — CID 79096916

IUPACcyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone
SMILESCCc1nc(Cn2ccc(C(=O)C3CC3)c2)cs1
InChIInChI=1S/C14H16N2OS/c1-2-13-15-12(9-18-13)8-16-6-5-11(7-16)14(17)10-3-4-10/h5-7,9-10H,2-4,8H2,1H3
InChIKeyZHOPXBJRPHVLEJ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.15
Rot. Bonds5

About cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone (PubChem CID 79096916) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone
PubChem CID79096916
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Namecyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone
SMILESCCc1nc(Cn2ccc(C(=O)C3CC3)c2)cs1
InChIInChI=1S/C14H16N2OS/c1-2-13-15-12(9-18-13)8-16-6-5-11(7-16)14(17)10-3-4-10/h5-7,9-10H,2-4,8H2,1H3
InChIKeyZHOPXBJRPHVLEJ-UHFFFAOYSA-N
XLogP3.15
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrole-3-carbaldehyde
CID 66410097
cyclopropyl-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanol
CID 79103726
cyclopropyl-[1-(1,2-oxazol-4-ylmethyl)pyrrol-3-yl]methanone
CID 79097838
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328
cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097570
(3S,4S)-1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 98534340
2-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]acetic acid
CID 64617728
[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-cyclopropylmethanone
CID 79097088
[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
CID 103047356
cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097333
2-[3-(cyclopropanecarbonyl)pyrrol-1-yl]-1-pyrrolidin-1-ylethanone
CID 79097252
cyclopropyl-[1-[2-(4-methoxyphenoxy)ethyl]pyrrol-3-yl]methanone
CID 79108495

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone (CID 79096916) is cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone is CCc1nc(Cn2ccc(C(=O)C3CC3)c2)cs1.
What is the InChIKey of cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone?
The InChIKey is ZHOPXBJRPHVLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-13-15-12(9-18-13)8-16-6-5-11(7-16)14(17)10-3-4-10/h5-7,9-10H,2-4,8H2,1H3.
What are the key properties of cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone has a molecular weight of 260.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79096916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).