4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C16H19N5OS2 — CID 134607190

IUPAC4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)sn1
InChIInChI=1S/C16H19N5OS2/c1-9-8-13(24-21-9)19-16-18-12-6-7-23-14(12)15(20-16)17-10-2-4-11(22)5-3-10/h6-8,10-11,22H,2-5H2,1H3,(H2,17,18,19,20)
InChIKeyQMUJOGHCAZWOIG-UHFFFAOYSA-N
MW361.50 g/mol
LogP3.92
Rot. Bonds4

About 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 134607190) has the molecular formula C16H19N5OS2 and a molecular weight of 361.50 g/mol. Its IUPAC name is 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID134607190
Molecular FormulaC16H19N5OS2
Molecular Weight361.50 g/mol
Exact Mass361.10
IUPAC Name4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)sn1
InChIInChI=1S/C16H19N5OS2/c1-9-8-13(24-21-9)19-16-18-12-6-7-23-14(12)15(20-16)17-10-2-4-11(22)5-3-10/h6-8,10-11,22H,2-5H2,1H3,(H2,17,18,19,20)
InChIKeyQMUJOGHCAZWOIG-UHFFFAOYSA-N
XLogP3.92
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 134607190) is 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cc(Nc2nc(NC3CCC(O)CC3)c3sccc3n2)sn1.
What is the InChIKey of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QMUJOGHCAZWOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5OS2/c1-9-8-13(24-21-9)19-16-18-12-6-7-23-14(12)15(20-16)17-10-2-4-11(22)5-3-10/h6-8,10-11,22H,2-5H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 361.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(3-methyl-1,2-thiazol-5-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 134607190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).