(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid

C16H19FN4O2S — CID 143695870

IUPAC(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid
SMILESCN1CCN(c2ncc(CN(C(=O)O)c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-19-6-8-20(9-7-19)15-18-10-14(24-15)11-21(16(22)23)13-4-2-12(17)3-5-13/h2-5,10H,6-9,11H2,1H3,(H,22,23)
InChIKeyJSMGLYOWZOCBHJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.72
Rot. Bonds4

About (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid

(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid (PubChem CID 143695870) has the molecular formula C16H19FN4O2S and a molecular weight of 350.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid
PubChem CID143695870
Molecular FormulaC16H19FN4O2S
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid
SMILESCN1CCN(c2ncc(CN(C(=O)O)c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C16H19FN4O2S/c1-19-6-8-20(9-7-19)15-18-10-14(24-15)11-21(16(22)23)13-4-2-12(17)3-5-13/h2-5,10H,6-9,11H2,1H3,(H,22,23)
InChIKeyJSMGLYOWZOCBHJ-UHFFFAOYSA-N
XLogP2.72
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propanamide
CID 59542726
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62754344
[4-(5-ethyl-1,3-thiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 136528222
N-(4-fluorophenyl)-2,2-dimethyl-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]methyl]propanamide
CID 59542790
5-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole
CID 20664826
N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3-benzothiazole-2-carboxamide
CID 25056602
N-(4-methylphenyl)-5-nitro-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]furan-2-carboxamide
CID 69168139
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-thiazol-5-yl]ethanone
CID 62757449
5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
CID 95481197
N-(4-fluorophenyl)-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46344605
2-(4-fluorophenoxy)-1-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 133309355
N-[[2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62751389

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid?
The IUPAC name of (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid (CID 143695870) is (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid.
What is the SMILES notation for (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid?
The canonical SMILES for (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid is CN1CCN(c2ncc(CN(C(=O)O)c3ccc(F)cc3)s2)CC1.
What is the InChIKey of (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid?
The InChIKey is JSMGLYOWZOCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2S/c1-19-6-8-20(9-7-19)15-18-10-14(24-15)11-21(16(22)23)13-4-2-12(17)3-5-13/h2-5,10H,6-9,11H2,1H3,(H,22,23).
What are the key properties of (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid?
(4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid has a molecular weight of 350.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]carbamic acid is sourced from PubChem (CID 143695870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).