3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine

C12H18N4S2 — CID 121003275

IUPAC3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine
SMILESCCCCSc1ncc2nc(CCCN)sc2n1
InChIInChI=1S/C12H18N4S2/c1-2-3-7-17-12-14-8-9-11(16-12)18-10(15-9)5-4-6-13/h8H,2-7,13H2,1H3
InChIKeyFXRLYYQITIOSLW-UHFFFAOYSA-N
MW282.44 g/mol
LogP2.87
Rot. Bonds7

About 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine

3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine (PubChem CID 121003275) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine
PubChem CID121003275
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine
SMILESCCCCSc1ncc2nc(CCCN)sc2n1
InChIInChI=1S/C12H18N4S2/c1-2-3-7-17-12-14-8-9-11(16-12)18-10(15-9)5-4-6-13/h8H,2-7,13H2,1H3
InChIKeyFXRLYYQITIOSLW-UHFFFAOYSA-N
XLogP2.87
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-pentylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 139920001
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
2-(6-butylsulfanyl-3-pyridinyl)ethanamine
CID 80650800
2-butylsulfanyl-6-methyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 59286757
2-butyl-7-fluoro-1,3-benzothiazole
CID 175941310
2-(3-aminopropyl)-1,3-thiazol-5-amine
CID 82415863
3-(6-bromo-5-methyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107334
2-butylsulfanyl-1,3-thiazole-5-carbonitrile
CID 19835049
3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 39107354
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581

Frequently Asked Questions

What is the IUPAC name of 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine?
The IUPAC name of 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine (CID 121003275) is 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine is CCCCSc1ncc2nc(CCCN)sc2n1.
What is the InChIKey of 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine?
The InChIKey is FXRLYYQITIOSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-2-3-7-17-12-14-8-9-11(16-12)18-10(15-9)5-4-6-13/h8H,2-7,13H2,1H3.
What are the key properties of 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine?
3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine has a molecular weight of 282.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-butylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)propan-1-amine is sourced from PubChem (CID 121003275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).