N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H12N4S2 — CID 113373130

IUPACN-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2nccs2)nc2c1CSC2
InChIInChI=1S/C11H12N4S2/c1-2-12-9-7-5-16-6-8(7)14-10(15-9)11-13-3-4-17-11/h3-4H,2,5-6H2,1H3,(H,12,14,15)
InChIKeyKALCSTJSEXLRSY-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.78
Rot. Bonds3

About N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 113373130) has the molecular formula C11H12N4S2 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID113373130
Molecular FormulaC11H12N4S2
Molecular Weight264.38 g/mol
Exact Mass264.05
IUPAC NameN-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2nccs2)nc2c1CSC2
InChIInChI=1S/C11H12N4S2/c1-2-12-9-7-5-16-6-8(7)14-10(15-9)11-13-3-4-17-11/h3-4H,2,5-6H2,1H3,(H,12,14,15)
InChIKeyKALCSTJSEXLRSY-UHFFFAOYSA-N
XLogP2.78
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190672
N-propyl-2-(1,3-thiazol-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472650
2-(1-benzothiophen-3-yl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193425
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2-cyclopropylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193524
N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193245
2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191212
N-propyl-2-pyridin-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190014
N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116633288
N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 113373108

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 113373130) is N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2nccs2)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is KALCSTJSEXLRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S2/c1-2-12-9-7-5-16-6-8(7)14-10(15-9)11-13-3-4-17-11/h3-4H,2,5-6H2,1H3,(H,12,14,15).
What are the key properties of N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 264.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 113373130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).