(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

C14H19N7O2S — CID 124752672

IUPAC(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccnc(N2CCN([C@H](C)C(=O)Nc3nncs3)CC2)n1
InChIInChI=1S/C14H19N7O2S/c1-10(12(22)18-14-19-16-9-24-14)20-5-7-21(8-6-20)13-15-4-3-11(17-13)23-2/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,22)/t10-/m1/s1
InChIKeyKCMIFMJMNXAXCN-SNVBAGLBSA-N
MW349.42 g/mol
LogP0.49
Rot. Bonds5

About (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide

(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 124752672) has the molecular formula C14H19N7O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID124752672
Molecular FormulaC14H19N7O2S
Molecular Weight349.42 g/mol
Exact Mass349.13
IUPAC Name(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCOc1ccnc(N2CCN([C@H](C)C(=O)Nc3nncs3)CC2)n1
InChIInChI=1S/C14H19N7O2S/c1-10(12(22)18-14-19-16-9-24-14)20-5-7-21(8-6-20)13-15-4-3-11(17-13)23-2/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,22)/t10-/m1/s1
InChIKeyKCMIFMJMNXAXCN-SNVBAGLBSA-N
XLogP0.49
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124728108
(2R)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propanamide
CID 95275291
1-(4-ethoxypyrimidin-2-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 146142616
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 34180167
2-[4-(4,6-dimethoxypyrimidin-2-yl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 172892794
[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 133282779
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 18078446
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 124752672) is (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is COc1ccnc(N2CCN([C@H](C)C(=O)Nc3nncs3)CC2)n1.
What is the InChIKey of (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is KCMIFMJMNXAXCN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N7O2S/c1-10(12(22)18-14-19-16-9-24-14)20-5-7-21(8-6-20)13-15-4-3-11(17-13)23-2/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide?
(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 349.42 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 124752672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).