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

C14H21N3O2S — CID 82437711

IUPAC2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN1CCN(Cc2nc(C3CC3)c(CC(=O)O)s2)CC1
InChIInChI=1S/C14H21N3O2S/c1-16-4-6-17(7-5-16)9-12-15-14(10-2-3-10)11(20-12)8-13(18)19/h10H,2-9H2,1H3,(H,18,19)
InChIKeyQWCCSXWBGQGOSV-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.39
Rot. Bonds5

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

2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82437711) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82437711
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCN1CCN(Cc2nc(C3CC3)c(CC(=O)O)s2)CC1
InChIInChI=1S/C14H21N3O2S/c1-16-4-6-17(7-5-16)9-12-15-14(10-2-3-10)11(20-12)8-13(18)19/h10H,2-9H2,1H3,(H,18,19)
InChIKeyQWCCSXWBGQGOSV-UHFFFAOYSA-N
XLogP1.39
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82437854
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227605
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421
2-(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)acetic acid
CID 82436091
2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82124315
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
CID 82437678
N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437923
2-[2-[(4-chlorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]acetic acid
CID 82436126
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82437693
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid (CID 82437711) is 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid is CN1CCN(Cc2nc(C3CC3)c(CC(=O)O)s2)CC1.
What is the InChIKey of 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is QWCCSXWBGQGOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-16-4-6-17(7-5-16)9-12-15-14(10-2-3-10)11(20-12)8-13(18)19/h10H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 295.41 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82437711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).