1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

C14H18N2OS2 — CID 103027953

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18N2OS2/c1-16-11(4-6-15-16)2-3-12(17)14-8-10-9-18-7-5-13(10)19-14/h4,6,8,12,17H,2-3,5,7,9H2,1H3
InChIKeySYCNUCJSIBORNI-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.94
Rot. Bonds4

About 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol

1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (PubChem CID 103027953) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
PubChem CID103027953
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
SMILESCn1nccc1CCC(O)c1cc2c(s1)CCSC2
InChIInChI=1S/C14H18N2OS2/c1-16-11(4-6-15-16)2-3-12(17)14-8-10-9-18-7-5-13(10)19-14/h4,6,8,12,17H,2-3,5,7,9H2,1H3
InChIKeySYCNUCJSIBORNI-UHFFFAOYSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10317646
(S)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-1H,4H,4aH,5H,6H,7H-cyclopenta[f]indazol-5-yl](thiophen-3-yl)methanol
CID 10407417
[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methanol
CID 740214
(1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}piperidin-4-yl)(2-thienyl)methanol
CID 16190164
(R)-[(4aR,5S)-4a-methyl-1-(4-methylphenyl)-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-thiophen-3-ylmethanol
CID 164627656
1-(1-Methyl-3-thiophen-3-ylpyrazol-5-yl)ethane-1,2-diol
CID 155559694
(1,5-dimethyl-1H-pyrazol-3-yl)(thiophen-3-yl)methanol
CID 121553669
1-(6-Fluoro-1-benzothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103027995
3-[5-(Methoxymethyl)thiophen-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 137956390
alpha-[[Methyl[[5-[1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methyl]amino]methyl]-benzenemethanol
CID 10000765
(1R)-2-[(4aR,5R)-1-(4-fluorophenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]-1-thiophen-3-ylethanol
CID 11742199
2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-thiophen-3-ylethanol
CID 15604813

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol (CID 103027953) is 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is Cn1nccc1CCC(O)c1cc2c(s1)CCSC2.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
The InChIKey is SYCNUCJSIBORNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-16-11(4-6-15-16)2-3-12(17)14-8-10-9-18-7-5-13(10)19-14/h4,6,8,12,17H,2-3,5,7,9H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol?
1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol has a molecular weight of 294.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 103027953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).