ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone

C19H29N3OS — CID 143900231

IUPACethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
SMILESCC.CC.Cc1nc(-c2cccc(C(=O)N3CCNCC3)c2)cs1
InChIInChI=1S/C15H17N3OS.2C2H6/c1-11-17-14(10-20-11)12-3-2-4-13(9-12)15(19)18-7-5-16-6-8-18;2*1-2/h2-4,9-10,16H,5-8H2,1H3;2*1-2H3
InChIKeyKGRYSPINHHRXOX-UHFFFAOYSA-N
MW347.53 g/mol
LogP4.22
Rot. Bonds2

About ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone

ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone (PubChem CID 143900231) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Nameethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
PubChem CID143900231
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Nameethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone
SMILESCC.CC.Cc1nc(-c2cccc(C(=O)N3CCNCC3)c2)cs1
InChIInChI=1S/C15H17N3OS.2C2H6/c1-11-17-14(10-20-11)12-3-2-4-13(9-12)15(19)18-7-5-16-6-8-18;2*1-2/h2-4,9-10,16H,5-8H2,1H3;2*1-2H3
InChIKeyKGRYSPINHHRXOX-UHFFFAOYSA-N
XLogP4.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119259285
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119486276
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 67168433
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 119633701
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343
piperazin-1-yl-(3-thiophen-2-ylphenyl)methanone
CID 39371882
(3S,4S)-1-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951688
4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 71925846
[3-(2-methylimidazo[1,2-a]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 169420226
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
CID 50834010

Frequently Asked Questions

What is the IUPAC name of ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone (CID 143900231) is ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone is CC.CC.Cc1nc(-c2cccc(C(=O)N3CCNCC3)c2)cs1.
What is the InChIKey of ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is KGRYSPINHHRXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS.2C2H6/c1-11-17-14(10-20-11)12-3-2-4-13(9-12)15(19)18-7-5-16-6-8-18;2*1-2/h2-4,9-10,16H,5-8H2,1H3;2*1-2H3.
What are the key properties of ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone?
ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 347.53 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 143900231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).