N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide

C14H11N3O2S2 — CID 22674495

IUPACN,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide
SMILESCN(C)C(=O)c1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C14H11N3O2S2/c1-17(2)14(19)13-15-8-5-7-21-12(8)10(16-13)11(18)9-4-3-6-20-9/h3-7H,1-2H3
InChIKeyPUVVLRHANOWYFF-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.69
Rot. Bonds3

About N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide

N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide (PubChem CID 22674495) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide
PubChem CID22674495
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC NameN,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide
SMILESCN(C)C(=O)c1nc(C(=O)c2cccs2)c2sccc2n1
InChIInChI=1S/C14H11N3O2S2/c1-17(2)14(19)13-15-8-5-7-21-12(8)10(16-13)11(18)9-4-3-6-20-9/h3-7H,1-2H3
InChIKeyPUVVLRHANOWYFF-UHFFFAOYSA-N
XLogP2.69
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide (CID 22674495) is N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide is CN(C)C(=O)c1nc(C(=O)c2cccs2)c2sccc2n1.
What is the InChIKey of N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide?
The InChIKey is PUVVLRHANOWYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-17(2)14(19)13-15-8-5-7-21-12(8)10(16-13)11(18)9-4-3-6-20-9/h3-7H,1-2H3.
What are the key properties of N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide?
N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(thiophene-2-carbonyl)thieno[3,2-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 22674495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).