(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C12H22N4OS+2 — CID 7436817

IUPAC(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-9-8-13-12(18-9)14-11(17)10(2)16-6-4-15(3)5-7-16/h8,10H,4-7H2,1-3H3,(H,13,14,17)/p+2/t10-/m1/s1
InChIKeyBNLWTFGRGNIIEA-SNVBAGLBSA-P
MW270.40 g/mol
LogP-1.81
Rot. Bonds3

About (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide

(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 7436817) has the molecular formula C12H22N4OS+2 and a molecular weight of 270.40 g/mol. Its IUPAC name is (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID7436817
Molecular FormulaC12H22N4OS+2
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)s1
InChIInChI=1S/C12H20N4OS/c1-9-8-13-12(18-9)14-11(17)10(2)16-6-4-15(3)5-7-16/h8,10H,4-7H2,1-3H3,(H,13,14,17)/p+2/t10-/m1/s1
InChIKeyBNLWTFGRGNIIEA-SNVBAGLBSA-P
XLogP-1.81
TPSA50.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-Methyl-thiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 23724323
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
N-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide;oxalic acid
CID 16195100
2-Acetamido-5-methylthiazole
CID 298507
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 66573025
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229474
N-(5-methyl-1,3-thiazol-2-yl)-2-(morpholin-4-yl)acetamide
CID 17634923

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 7436817) is (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)[C@@H](C)[NH+]2CC[NH+](C)CC2)s1.
What is the InChIKey of (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BNLWTFGRGNIIEA-SNVBAGLBSA-P. The full InChI is InChI=1S/C12H20N4OS/c1-9-8-13-12(18-9)14-11(17)10(2)16-6-4-15(3)5-7-16/h8,10H,4-7H2,1-3H3,(H,13,14,17)/p+2/t10-/m1/s1.
What are the key properties of (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 270.40 g/mol, XLogP of -1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 7436817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).