[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone

C17H17N5OS2 — CID 121190680

IUPAC[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(-c2cccs2)cs1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H17N5OS2/c23-17(16-18-14(10-25-16)15-2-1-7-24-15)21-6-5-12(8-21)22-9-13(19-20-22)11-3-4-11/h1-2,7,9-12H,3-6,8H2
InChIKeyXPXHKFJBSFLSCX-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.43
Rot. Bonds4

About [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone

[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 121190680) has the molecular formula C17H17N5OS2 and a molecular weight of 371.49 g/mol. Its IUPAC name is [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID121190680
Molecular FormulaC17H17N5OS2
Molecular Weight371.49 g/mol
Exact Mass371.09
IUPAC Name[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone
SMILESO=C(c1nc(-c2cccs2)cs1)N1CCC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C17H17N5OS2/c23-17(16-18-14(10-25-16)15-2-1-7-24-15)21-6-5-12(8-21)22-9-13(19-20-22)11-3-4-11/h1-2,7,9-12H,3-6,8H2
InChIKeyXPXHKFJBSFLSCX-UHFFFAOYSA-N
XLogP3.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 121190641
2,1,3-benzothiadiazol-5-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190446
1,3-benzothiazol-6-yl-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 119103974
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121190542
(4-tert-butylphenyl)-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121190591
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 121190416
(5-bromofuran-2-yl)-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 124761305
N-[4-[(3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 124892607
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(2,4-dichlorophenyl)methanone
CID 121190560
4-[3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 121190686

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone (CID 121190680) is [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone is O=C(c1nc(-c2cccs2)cs1)N1CCC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is XPXHKFJBSFLSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS2/c23-17(16-18-14(10-25-16)15-2-1-7-24-15)21-6-5-12(8-21)22-9-13(19-20-22)11-3-4-11/h1-2,7,9-12H,3-6,8H2.
What are the key properties of [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone?
[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 371.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-(4-thiophen-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 121190680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).