N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide

C15H18N8OS — CID 91831881

IUPACN-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(c2ccnc3nncn23)CC1
InChIInChI=1S/C15H18N8OS/c1-11(13(24)19-15-17-4-9-25-15)21-5-7-22(8-6-21)12-2-3-16-14-20-18-10-23(12)14/h2-4,9-11H,5-8H2,1H3,(H,17,19,24)
InChIKeyKGDZPZBCNNTYSP-UHFFFAOYSA-N
MW358.43 g/mol
LogP0.73
Rot. Bonds4

About N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide

N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide (PubChem CID 91831881) has the molecular formula C15H18N8OS and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide
PubChem CID91831881
Molecular FormulaC15H18N8OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC NameN-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide
SMILESCC(C(=O)Nc1nccs1)N1CCN(c2ccnc3nncn23)CC1
InChIInChI=1S/C15H18N8OS/c1-11(13(24)19-15-17-4-9-25-15)21-5-7-22(8-6-21)12-2-3-16-14-20-18-10-23(12)14/h2-4,9-11H,5-8H2,1H3,(H,17,19,24)
InChIKeyKGDZPZBCNNTYSP-UHFFFAOYSA-N
XLogP0.73
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 41312846
(2S)-2-piperidin-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 40932668
(2S)-N-phenyl-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]butanamide
CID 124754814
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40932948
2-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 50960716
2-(4-cyclopentyl-1,4-diazepan-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 167773947
(2S)-2-[4-(pyrimidin-2-ylamino)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95144394
2-[4-(2-phenylsulfanylethyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 47055938
(2S)-2-(4-pyrazin-2-ylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124728108
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 55541544
(2R)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124752672
(2S)-2-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 97313518

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide (CID 91831881) is N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide is CC(C(=O)Nc1nccs1)N1CCN(c2ccnc3nncn23)CC1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide?
The InChIKey is KGDZPZBCNNTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8OS/c1-11(13(24)19-15-17-4-9-25-15)21-5-7-22(8-6-21)12-2-3-16-14-20-18-10-23(12)14/h2-4,9-11H,5-8H2,1H3,(H,17,19,24).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide?
N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide has a molecular weight of 358.43 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]propanamide is sourced from PubChem (CID 91831881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).