4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C18H17N5O3S — CID 87404676

IUPAC4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17N5O3S/c24-16(15-2-1-11-26-15)22-7-9-23(10-8-22)18(25)21-17-20-14(12-27-17)13-3-5-19-6-4-13/h1-6,11-12H,7-10H2,(H,20,21,25)
InChIKeyNJOCNWCGLUKBIZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.79
Rot. Bonds3

About 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 87404676) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID87404676
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H17N5O3S/c24-16(15-2-1-11-26-15)22-7-9-23(10-8-22)18(25)21-17-20-14(12-27-17)13-3-5-19-6-4-13/h1-6,11-12H,7-10H2,(H,20,21,25)
InChIKeyNJOCNWCGLUKBIZ-UHFFFAOYSA-N
XLogP2.79
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 87404676) is 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1nc(-c2ccncc2)cs1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is NJOCNWCGLUKBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-16(15-2-1-11-26-15)22-7-9-23(10-8-22)18(25)21-17-20-14(12-27-17)13-3-5-19-6-4-13/h1-6,11-12H,7-10H2,(H,20,21,25).
What are the key properties of 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 87404676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).