[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone

C19H25N3OS — CID 100620299

IUPAC[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
SMILESCC1(C)CN=C(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)S1
InChIInChI=1S/C19H25N3OS/c1-19(2)13-20-18(24-19)22-10-8-21(9-11-22)17(23)16-12-15(16)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyIFLRNNAHTYNHIC-CVEARBPZSA-N
MW343.50 g/mol
LogP2.82
Rot. Bonds2

About [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone

[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone (PubChem CID 100620299) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
PubChem CID100620299
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone
SMILESCC1(C)CN=C(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)S1
InChIInChI=1S/C19H25N3OS/c1-19(2)13-20-18(24-19)22-10-8-21(9-11-22)17(23)16-12-15(16)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-,16+/m1/s1
InChIKeyIFLRNNAHTYNHIC-CVEARBPZSA-N
XLogP2.82
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone with MolForge

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Related Compounds

(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(2-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110420007
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
2-(4-hydroxyphenyl)sulfanyl-1-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 164556692
[4-(2,6-dimethyl-5-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 5073556
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
2-amino-4-[4-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136988385
2-naphthalen-1-yl-1-[4-[(1S,2S)-2-phenylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896738

Frequently Asked Questions

What is the IUPAC name of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone?
The IUPAC name of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone (CID 100620299) is [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone.
What is the SMILES notation for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone?
The canonical SMILES for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone is CC1(C)CN=C(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)S1.
What is the InChIKey of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone?
The InChIKey is IFLRNNAHTYNHIC-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-19(2)13-20-18(24-19)22-10-8-21(9-11-22)17(23)16-12-15(16)14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone?
[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone has a molecular weight of 343.50 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-[(1S,2S)-2-phenylcyclopropyl]methanone is sourced from PubChem (CID 100620299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).