(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone

C22H26N2OS2 — CID 20889014

IUPAC(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1SC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H26N2OS2/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)20-14-16-15-26-19-9-5-4-8-18(19)21(16)27-20/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2
InChIKeyVCICBCYDFCKGTL-UHFFFAOYSA-N
MW398.60 g/mol
LogP5.11
Rot. Bonds2

About (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone

(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone (PubChem CID 20889014) has the molecular formula C22H26N2OS2 and a molecular weight of 398.60 g/mol. Its IUPAC name is (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
PubChem CID20889014
Molecular FormulaC22H26N2OS2
Molecular Weight398.60 g/mol
Exact Mass398.15
IUPAC Name(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
SMILESO=C(c1cc2c(s1)-c1ccccc1SC2)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H26N2OS2/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)20-14-16-15-26-19-9-5-4-8-18(19)21(16)27-20/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2
InChIKeyVCICBCYDFCKGTL-UHFFFAOYSA-N
XLogP5.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.60
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyclohexylpiperazin-1-yl)-(7-methyl-4,5-dihydrothieno[2,3-e][1]benzothiol-2-yl)methanone
CID 20963478
(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-pyrrolidin-1-ylmethanone
CID 23602784
[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-(4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 170043225
(4-cyclohexylpiperazin-1-yl)-(4-phenyl-5-piperidin-1-ylthiophen-2-yl)methanone
CID 20940465
(7-chloro-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 23602788
ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 141352577
(8-fluoro-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4855551
ethane;ethyl 4H-thieno[3,2-c]thiochromene-2-carboxylate
CID 166137482
N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 46261423
[4-(4,5-dihydrobenzo[g][1]benzothiole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144850
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(8-chloro-4H-thieno[3,2-c]thiochromen-2-yl)methanone
CID 22266126
6-(4-cyclohexylpiperazine-1-carbonyl)-4H-1,4-benzothiazin-3-one
CID 167804187

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone?
The IUPAC name of (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone (CID 20889014) is (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone.
What is the SMILES notation for (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone?
The canonical SMILES for (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone is O=C(c1cc2c(s1)-c1ccccc1SC2)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone?
The InChIKey is VCICBCYDFCKGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS2/c25-22(24-12-10-23(11-13-24)17-6-2-1-3-7-17)20-14-16-15-26-19-9-5-4-8-18(19)21(16)27-20/h4-5,8-9,14,17H,1-3,6-7,10-13,15H2.
What are the key properties of (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone?
(4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone has a molecular weight of 398.60 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylpiperazin-1-yl)-(4H-thieno[3,2-c]thiochromen-2-yl)methanone is sourced from PubChem (CID 20889014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).