N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide

C19H22N4O3S2 — CID 155786375

IUPACN-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2nc(-c3cncs3)nc3ccsc23)CC1
InChIInChI=1S/C19H22N4O3S2/c1-25-7-8-26-13-4-2-12(3-5-13)21-19(24)16-17-14(6-9-27-17)22-18(23-16)15-10-20-11-28-15/h6,9-13H,2-5,7-8H2,1H3,(H,21,24)
InChIKeyAOJIIOBIVJGJKX-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.52
Rot. Bonds7

About N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide

N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide (PubChem CID 155786375) has the molecular formula C19H22N4O3S2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide
PubChem CID155786375
Molecular FormulaC19H22N4O3S2
Molecular Weight418.54 g/mol
Exact Mass418.11
IUPAC NameN-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide
SMILESCOCCOC1CCC(NC(=O)c2nc(-c3cncs3)nc3ccsc23)CC1
InChIInChI=1S/C19H22N4O3S2/c1-25-7-8-26-13-4-2-12(3-5-13)21-19(24)16-17-14(6-9-27-17)22-18(23-16)15-10-20-11-28-15/h6,9-13H,2-5,7-8H2,1H3,(H,21,24)
InChIKeyAOJIIOBIVJGJKX-UHFFFAOYSA-N
XLogP3.52
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(S)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230181
(+/-)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25231166
N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1-methylpyrazol-4-yl)-2-(1,3-thiazol-5-yl)pyrimidine-4-carboxamide
CID 156885909
N-[4-(2-methoxyethoxy)cyclohexyl]-1-methyl-6-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-4-carboxamide
CID 168291170
1-ethyl-N-[4-(2-methoxyethoxy)cyclohexyl]-6-(1,3-thiazol-5-yl)pyrrolo[2,3-b]pyridine-4-carboxamide
CID 168294523
N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)-7H-pyrrolo[2,3-d]pyrimidine-4-carboxamide
CID 168296139
(R)-[2-(1-Pyridin-3-yl-ethylamino)-thieno[3,2-d]pyrimidin-4-yl]-pyrrolidin-1-yl-methanone
CID 25230180
(3,3-difluoropyrrolidin-1-yl)-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 142540038
[6-amino-2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3R)-3-fluoropyrrolidin-1-yl]methanone
CID 142540270
[(3R)-3-fluoropyrrolidin-1-yl]-[2-[[(1S)-1-pyridin-2-ylethyl]amino]thieno[3,2-d]pyrimidin-4-yl]methanone
CID 142540473
2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]-N-(oxan-4-ylmethyl)thieno[3,2-d]pyrimidine-4-carboxamide
CID 150351504
[2-[[(1S)-1-(5-fluoro-3-pyridinyl)ethyl]amino]thieno[3,2-d]pyrimidin-4-yl]-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 153637658

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide (CID 155786375) is N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide is COCCOC1CCC(NC(=O)c2nc(-c3cncs3)nc3ccsc23)CC1.
What is the InChIKey of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
The InChIKey is AOJIIOBIVJGJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S2/c1-25-7-8-26-13-4-2-12(3-5-13)21-19(24)16-17-14(6-9-27-17)22-18(23-16)15-10-20-11-28-15/h6,9-13H,2-5,7-8H2,1H3,(H,21,24).
What are the key properties of N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide?
N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)cyclohexyl]-2-(1,3-thiazol-5-yl)thieno[3,2-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 155786375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).