cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

C11H15N3OS — CID 53498835

IUPACcyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H15N3OS/c15-10(9-1-2-9)13-4-6-14(7-5-13)11-12-3-8-16-11/h3,8-9H,1-2,4-7H2
InChIKeyXRCOOIFJWPHPKI-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.20
Rot. Bonds2

About cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone

cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (PubChem CID 53498835) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
PubChem CID53498835
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Namecyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
SMILESO=C(C1CC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H15N3OS/c15-10(9-1-2-9)13-4-6-14(7-5-13)11-12-3-8-16-11/h3,8-9H,1-2,4-7H2
InChIKeyXRCOOIFJWPHPKI-UHFFFAOYSA-N
XLogP1.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
(3S)-N,N-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 94162861
piperidin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone;dihydrochloride
CID 119863925
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 120634143
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
[(3R,4S)-4-hydroxy-1-methylpiperidin-3-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 163311834
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
(2-methylpyrrolidin-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 79382749
2-methoxy-1-[3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 72930668
(4-methylpiperazin-1-yl)-[1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56863070
[4-(1,3-thiazol-2-yl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone
CID 24675829
(2-phenylcyclopropyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56819702

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone (CID 53498835) is cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is O=C(C1CC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is XRCOOIFJWPHPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-10(9-1-2-9)13-4-6-14(7-5-13)11-12-3-8-16-11/h3,8-9H,1-2,4-7H2.
What are the key properties of cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone?
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 237.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53498835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).