N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide

C18H26N4OS+2 — CID 6957244

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
SMILESCc1nc(N(C(=O)C[NH+]2CC[NH+](C)CC2)c2ccccc2)sc1C
InChIInChI=1S/C18H24N4OS/c1-14-15(2)24-18(19-14)22(16-7-5-4-6-8-16)17(23)13-21-11-9-20(3)10-12-21/h4-8H,9-13H2,1-3H3/p+2
InChIKeyKZQWATHHBYHKQX-UHFFFAOYSA-P
MW346.50 g/mol
LogP-0.16
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide (PubChem CID 6957244) has the molecular formula C18H26N4OS+2 and a molecular weight of 346.50 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
PubChem CID6957244
Molecular FormulaC18H26N4OS+2
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide
SMILESCc1nc(N(C(=O)C[NH+]2CC[NH+](C)CC2)c2ccccc2)sc1C
InChIInChI=1S/C18H24N4OS/c1-14-15(2)24-18(19-14)22(16-7-5-4-6-8-16)17(23)13-21-11-9-20(3)10-12-21/h4-8H,9-13H2,1-3H3/p+2
InChIKeyKZQWATHHBYHKQX-UHFFFAOYSA-P
XLogP-0.16
TPSA42.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dimethyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 118954162
(5-acetyl-4-methyl-1,3-thiazol-2-yl)-phenylcarbamic acid
CID 69134146
N-benzyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)-2-morpholin-4-ium-4-ylacetamide
CID 7315724
2-morpholin-4-ium-4-yl-N-naphthalen-2-yl-N-phenylacetamide
CID 6951805
2-[carboxymethyl-(4,5-dimethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 65169781
N-ethyl-4,5-dimethyl-N-phenyl-1,3-thiazole-2-carboxamide
CID 110696368
N-benzyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide
CID 2332200
1-[2-(N-methylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8556648
1-benzamido-1-(4,5-dimethyl-1,3-thiazol-2-yl)urea
CID 175069307
2-morpholin-4-ium-4-yl-N-phenyl-N-propan-2-ylacetamide
CID 2303532
1-[4-methyl-2-(N-phenylanilino)-1,3-thiazol-5-yl]ethanone
CID 17391570
2-[N-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoyl]anilino]acetic acid
CID 61466028

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide (CID 6957244) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide is Cc1nc(N(C(=O)C[NH+]2CC[NH+](C)CC2)c2ccccc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
The InChIKey is KZQWATHHBYHKQX-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H24N4OS/c1-14-15(2)24-18(19-14)22(16-7-5-4-6-8-16)17(23)13-21-11-9-20(3)10-12-21/h4-8H,9-13H2,1-3H3/p+2.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide has a molecular weight of 346.50 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)-N-phenylacetamide is sourced from PubChem (CID 6957244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).