1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea

C20H23N5OS3 — CID 22674490

IUPAC1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea
SMILESO=C(c1cccs1)c1nc(NCCNC(=S)NC2CCCCC2)nc2ccsc12
InChIInChI=1S/C20H23N5OS3/c26-17(15-7-4-11-28-15)16-18-14(8-12-29-18)24-19(25-16)21-9-10-22-20(27)23-13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,21,24,25)(H2,22,23,27)
InChIKeyLIKKGVVZNLGHAR-UHFFFAOYSA-N
MW445.64 g/mol
LogP4.19
Rot. Bonds7

About 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea

1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea (PubChem CID 22674490) has the molecular formula C20H23N5OS3 and a molecular weight of 445.64 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea
PubChem CID22674490
Molecular FormulaC20H23N5OS3
Molecular Weight445.64 g/mol
Exact Mass445.11
IUPAC Name1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea
SMILESO=C(c1cccs1)c1nc(NCCNC(=S)NC2CCCCC2)nc2ccsc12
InChIInChI=1S/C20H23N5OS3/c26-17(15-7-4-11-28-15)16-18-14(8-12-29-18)24-19(25-16)21-9-10-22-20(27)23-13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,21,24,25)(H2,22,23,27)
InChIKeyLIKKGVVZNLGHAR-UHFFFAOYSA-N
XLogP4.19
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.64
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea with MolForge

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Related Compounds

N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
CID 22674399
1-pentyl-3-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]urea
CID 70126675
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674463
methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
CID 23519757
N-cycloheptyl-2-oxo-2-thiophen-2-ylacetamide
CID 82119541
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
1-cyclopropyl-3-(thiophen-2-ylmethyl)thiourea
CID 2730103
1-cyclopentyl-3-[2-(1,3-thiazol-2-yl)ethyl]thiourea
CID 116508515
2-(cyclohexylamino)-2-sulfanylidene-N-(thiophen-2-ylmethyl)acetamide
CID 3274426
N-cyclohexyl-4-[2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxamide
CID 46381865
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea?
The IUPAC name of 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea (CID 22674490) is 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea?
The canonical SMILES for 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea is O=C(c1cccs1)c1nc(NCCNC(=S)NC2CCCCC2)nc2ccsc12.
What is the InChIKey of 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea?
The InChIKey is LIKKGVVZNLGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS3/c26-17(15-7-4-11-28-15)16-18-14(8-12-29-18)24-19(25-16)21-9-10-22-20(27)23-13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,21,24,25)(H2,22,23,27).
What are the key properties of 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea?
1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea has a molecular weight of 445.64 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea is sourced from PubChem (CID 22674490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).