(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

C16H24N6OS — CID 42001940

IUPAC(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H24N6OS/c1-11-14(12(2)20(4)19-11)18-15(23)13(3)21-6-8-22(9-7-21)16-17-5-10-24-16/h5,10,13H,6-9H2,1-4H3,(H,18,23)/t13-/m0/s1
InChIKeyMMFHSZBCOPYDJT-ZDUSSCGKSA-N
MW348.48 g/mol
LogP1.64
Rot. Bonds4

About (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 42001940) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID42001940
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2nccs2)CC1
InChIInChI=1S/C16H24N6OS/c1-11-14(12(2)20(4)19-11)18-15(23)13(3)21-6-8-22(9-7-21)16-17-5-10-24-16/h5,10,13H,6-9H2,1-4H3,(H,18,23)/t13-/m0/s1
InChIKeyMMFHSZBCOPYDJT-ZDUSSCGKSA-N
XLogP1.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 42001940) is (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCN(c2nccs2)CC1.
What is the InChIKey of (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is MMFHSZBCOPYDJT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-11-14(12(2)20(4)19-11)18-15(23)13(3)21-6-8-22(9-7-21)16-17-5-10-24-16/h5,10,13H,6-9H2,1-4H3,(H,18,23)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide?
(2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 348.48 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 42001940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).