N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate

C14H11N4O3S2- — CID 22674399

IUPACN-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
SMILESO=C([O-])NCCNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C14H12N4O3S2/c19-11(9-2-1-6-22-9)10-12-8(3-7-23-12)17-13(18-10)15-4-5-16-14(20)21/h1-3,6-7,16H,4-5H2,(H,20,21)(H,15,17,18)/p-1
InChIKeyRXMGQNQXRWJEHD-UHFFFAOYSA-M
MW347.40 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate

N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate (PubChem CID 22674399) has the molecular formula C14H11N4O3S2- and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
PubChem CID22674399
Molecular FormulaC14H11N4O3S2-
Molecular Weight347.40 g/mol
Exact Mass347.03
IUPAC NameN-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate
SMILESO=C([O-])NCCNc1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C14H12N4O3S2/c19-11(9-2-1-6-22-9)10-12-8(3-7-23-12)17-13(18-10)15-4-5-16-14(20)21/h1-3,6-7,16H,4-5H2,(H,20,21)(H,15,17,18)/p-1
InChIKeyRXMGQNQXRWJEHD-UHFFFAOYSA-M
XLogP1.33
TPSA107.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]thiourea
CID 22674490
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
N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide
CID 22674495
(5-chlorothiophen-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883108
methyl (2S)-1-[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]pyrrolidine-2-carboxylate
CID 23519757
[6-chloro-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]-thiophen-2-ylmethanone
CID 46883208
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 25230103
ethyl 2-[2-(4-hydroxyphenyl)ethylamino]thieno[3,2-d]pyrimidine-4-carboxylate
CID 150546337
N-[2-[[4-(furan-2-yl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]-3-methylbutanamide
CID 59732373
(5-methylfuran-2-yl)-[2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidin-4-yl]methanone
CID 46883109
N-propyl-2-(pyridin-3-ylmethylamino)thieno[3,2-d]pyrimidine-4-carboxamide
CID 68772018

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
The IUPAC name of N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate (CID 22674399) is N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate.
What is the SMILES notation for N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
The canonical SMILES for N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate is O=C([O-])NCCNc1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
The InChIKey is RXMGQNQXRWJEHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N4O3S2/c19-11(9-2-1-6-22-9)10-12-8(3-7-23-12)17-13(18-10)15-4-5-16-14(20)21/h1-3,6-7,16H,4-5H2,(H,20,21)(H,15,17,18)/p-1.
What are the key properties of N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate?
N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate has a molecular weight of 347.40 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]carbamate is sourced from PubChem (CID 22674399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).