1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

C19H27N5OS — CID 70750163

IUPAC1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C19H27N5OS/c1-15(19(25)23-7-2-3-8-23)22-9-4-16(5-10-22)18-20-6-11-24(18)12-17-13-26-14-21-17/h6,11,13-16H,2-5,7-10,12H2,1H3
InChIKeyBGGSDJOFVYIFMQ-UHFFFAOYSA-N
MW373.53 g/mol
LogP2.58
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one

1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 70750163) has the molecular formula C19H27N5OS and a molecular weight of 373.53 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
PubChem CID70750163
Molecular FormulaC19H27N5OS
Molecular Weight373.53 g/mol
Exact Mass373.19
IUPAC Name1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C19H27N5OS/c1-15(19(25)23-7-2-3-8-23)22-9-4-16(5-10-22)18-20-6-11-24(18)12-17-13-26-14-21-17/h6,11,13-16H,2-5,7-10,12H2,1H3
InChIKeyBGGSDJOFVYIFMQ-UHFFFAOYSA-N
XLogP2.58
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.53
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one (CID 70750163) is 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCC1)N1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is BGGSDJOFVYIFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5OS/c1-15(19(25)23-7-2-3-8-23)22-9-4-16(5-10-22)18-20-6-11-24(18)12-17-13-26-14-21-17/h6,11,13-16H,2-5,7-10,12H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one?
1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 373.53 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70750163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).