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

C18H23N5O2S — CID 87408951

IUPAC4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H23N5O2S/c24-18(21-17-20-16(13-26-17)14-3-5-19-6-4-14)23-9-7-22(8-10-23)12-15-2-1-11-25-15/h3-6,13,15H,1-2,7-12H2,(H,20,21,24)
InChIKeyOBHHADQHNNIJDH-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.53
Rot. Bonds4

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

4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 87408951) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID87408951
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC Name4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C18H23N5O2S/c24-18(21-17-20-16(13-26-17)14-3-5-19-6-4-14)23-9-7-22(8-10-23)12-15-2-1-11-25-15/h3-6,13,15H,1-2,7-12H2,(H,20,21,24)
InChIKeyOBHHADQHNNIJDH-UHFFFAOYSA-N
XLogP2.53
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 87408951) is 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is OBHHADQHNNIJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-18(21-17-20-16(13-26-17)14-3-5-19-6-4-14)23-9-7-22(8-10-23)12-15-2-1-11-25-15/h3-6,13,15H,1-2,7-12H2,(H,20,21,24).
What are the key properties of 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 87408951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).