N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C13H14N4S3 — CID 62189284

IUPACN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2nc(C)cs2)nc2sccc12
InChIInChI=1S/C13H14N4S3/c1-3-14-11-9-4-5-18-12(9)17-10(16-11)7-20-13-15-8(2)6-19-13/h4-6H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyURGYPUIBIZVCGV-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.18
Rot. Bonds5

About N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62189284) has the molecular formula C13H14N4S3 and a molecular weight of 322.48 g/mol. Its IUPAC name is N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62189284
Molecular FormulaC13H14N4S3
Molecular Weight322.48 g/mol
Exact Mass322.04
IUPAC NameN-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(CSc2nc(C)cs2)nc2sccc12
InChIInChI=1S/C13H14N4S3/c1-3-14-11-9-4-5-18-12(9)17-10(16-11)7-20-13-15-8(2)6-19-13/h4-6H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyURGYPUIBIZVCGV-UHFFFAOYSA-N
XLogP4.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 62189284) is N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(CSc2nc(C)cs2)nc2sccc12.
What is the InChIKey of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is URGYPUIBIZVCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S3/c1-3-14-11-9-4-5-18-12(9)17-10(16-11)7-20-13-15-8(2)6-19-13/h4-6H,3,7H2,1-2H3,(H,14,16,17).
What are the key properties of N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 322.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62189284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).