N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

C18H22N4O3S — CID 5330968

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyRLTFKHPSPUGIRA-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.57
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide (PubChem CID 5330968) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
PubChem CID5330968
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
SMILESCC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23)
InChIKeyRLTFKHPSPUGIRA-UHFFFAOYSA-N
XLogP2.57
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide (CID 5330968) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide is CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The InChIKey is RLTFKHPSPUGIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide has a molecular weight of 374.47 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 5330968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).