bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone

C17H22N4OS2 — CID 141044550

IUPACbis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(CN2CCCC2)n1)c1csc(CN2CCCC2)n1
InChIInChI=1S/C17H22N4OS2/c22-17(13-11-23-15(18-13)9-20-5-1-2-6-20)14-12-24-16(19-14)10-21-7-3-4-8-21/h11-12H,1-10H2
InChIKeyZRHMLTNRFIDTGE-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.02
Rot. Bonds6

About bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone

bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 141044550) has the molecular formula C17H22N4OS2 and a molecular weight of 362.52 g/mol. Its IUPAC name is bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Namebis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone
PubChem CID141044550
Molecular FormulaC17H22N4OS2
Molecular Weight362.52 g/mol
Exact Mass362.12
IUPAC Namebis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(CN2CCCC2)n1)c1csc(CN2CCCC2)n1
InChIInChI=1S/C17H22N4OS2/c22-17(13-11-23-15(18-13)9-20-5-1-2-6-20)14-12-24-16(19-14)10-21-7-3-4-8-21/h11-12H,1-10H2
InChIKeyZRHMLTNRFIDTGE-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Bis(2-methyl-1,3-thiazol-4-yl)methanone
CID 90744701
Bis(2-butyl-1,3-thiazol-4-yl)methanone
CID 151134675
Bis(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 151608953
Bis(2-ethyl-1,3-thiazol-4-yl)methanone
CID 151933109
Bis(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)methanone
CID 151970720
2-Amino-1-[2-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethyl]-1,3-thiazol-4-yl]ethanone
CID 167508977
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 130757854
[2-(Aminomethyl)-1,3-thiazol-4-yl]-(1,3-thiazol-4-yl)methanone
CID 131110938

Frequently Asked Questions

What is the IUPAC name of bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone (CID 141044550) is bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(CN2CCCC2)n1)c1csc(CN2CCCC2)n1.
What is the InChIKey of bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is ZRHMLTNRFIDTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS2/c22-17(13-11-23-15(18-13)9-20-5-1-2-6-20)14-12-24-16(19-14)10-21-7-3-4-8-21/h11-12H,1-10H2.
What are the key properties of bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone?
bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 362.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 141044550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).