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

C14H19N5OS2 — CID 95772589

IUPAC(2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(N2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)s1
InChIInChI=1S/C14H19N5OS2/c1-10-9-16-14(22-10)19-6-4-18(5-7-19)11(2)12(20)17-13-15-3-8-21-13/h3,8-9,11H,4-7H2,1-2H3,(H,15,17,20)/t11-/m0/s1
InChIKeyVFGHLUYMQCEYQL-NSHDSACASA-N
MW337.47 g/mol
LogP2.06
Rot. Bonds4

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

(2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 95772589) has the molecular formula C14H19N5OS2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID95772589
Molecular FormulaC14H19N5OS2
Molecular Weight337.47 g/mol
Exact Mass337.10
IUPAC Name(2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(N2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)s1
InChIInChI=1S/C14H19N5OS2/c1-10-9-16-14(22-10)19-6-4-18(5-7-19)11(2)12(20)17-13-15-3-8-21-13/h3,8-9,11H,4-7H2,1-2H3,(H,15,17,20)/t11-/m0/s1
InChIKeyVFGHLUYMQCEYQL-NSHDSACASA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 95772589) is (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is Cc1cnc(N2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)s1.
What is the InChIKey of (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VFGHLUYMQCEYQL-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5OS2/c1-10-9-16-14(22-10)19-6-4-18(5-7-19)11(2)12(20)17-13-15-3-8-21-13/h3,8-9,11H,4-7H2,1-2H3,(H,15,17,20)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide?
(2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 337.47 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 95772589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).