N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C13H20N4O2S — CID 47253929

IUPACN-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H20N4O2S/c18-12(15-9-11-1-7-19-10-11)16-3-5-17(6-4-16)13-14-2-8-20-13/h2,8,11H,1,3-7,9-10H2,(H,15,18)
InChIKeyOGDNRQFAFYCDTN-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.01
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 47253929) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID47253929
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H20N4O2S/c18-12(15-9-11-1-7-19-10-11)16-3-5-17(6-4-16)13-14-2-8-20-13/h2,8,11H,1,3-7,9-10H2,(H,15,18)
InChIKeyOGDNRQFAFYCDTN-UHFFFAOYSA-N
XLogP1.01
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 47253929) is N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NCC1CCOC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is OGDNRQFAFYCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c18-12(15-9-11-1-7-19-10-11)16-3-5-17(6-4-16)13-14-2-8-20-13/h2,8,11H,1,3-7,9-10H2,(H,15,18).
What are the key properties of N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 47253929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).