(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol

C19H23N5OS — CID 133384632

IUPAC(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ncnc3sc4c(c23)CCC4)C1
InChIInChI=1S/C19H23N5OS/c1-23-9-7-20-18(23)16(25)12-4-3-8-24(10-12)17-15-13-5-2-6-14(13)26-19(15)22-11-21-17/h7,9,11-12,16,25H,2-6,8,10H2,1H3
InChIKeyBGYODHMQYMGPMM-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.86
Rot. Bonds3

About (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol

(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol (PubChem CID 133384632) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol
PubChem CID133384632
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol
SMILESCn1ccnc1C(O)C1CCCN(c2ncnc3sc4c(c23)CCC4)C1
InChIInChI=1S/C19H23N5OS/c1-23-9-7-20-18(23)16(25)12-4-3-8-24(10-12)17-15-13-5-2-6-14(13)26-19(15)22-11-21-17/h7,9,11-12,16,25H,2-6,8,10H2,1H3
InChIKeyBGYODHMQYMGPMM-UHFFFAOYSA-N
XLogP2.86
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol with MolForge

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Related Compounds

(1-methylimidazol-2-yl)-[1-(5-methylquinazolin-4-yl)piperidin-3-yl]methanol
CID 133384624
(3S)-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-3-ol
CID 9283177
[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol
CID 17424305
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
(3R)-1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 2509943
4-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 2576052
(1-methylimidazol-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanol
CID 133384569
N-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-4-yl]cyclohexanecarboxamide
CID 133276960
N-[[1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]acetamide
CID 133274961
4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CID 133315625
4-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine;oxalic acid
CID 2829832
3-(4-methylpiperazin-1-yl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraene
CID 1277330

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol?
The IUPAC name of (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol (CID 133384632) is (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol.
What is the SMILES notation for (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol?
The canonical SMILES for (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol is Cn1ccnc1C(O)C1CCCN(c2ncnc3sc4c(c23)CCC4)C1.
What is the InChIKey of (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol?
The InChIKey is BGYODHMQYMGPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-23-9-7-20-18(23)16(25)12-4-3-8-24(10-12)17-15-13-5-2-6-14(13)26-19(15)22-11-21-17/h7,9,11-12,16,25H,2-6,8,10H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol?
(1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol has a molecular weight of 369.49 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-[1-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 133384632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).