4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine

C14H14FN5S — CID 72902145

IUPAC4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCNc2ncnc3cc(F)ccc23)cs1
InChIInChI=1S/C14H14FN5S/c15-9-3-4-11-12(6-9)18-8-19-13(11)17-5-1-2-10-7-21-14(16)20-10/h3-4,6-8H,1-2,5H2,(H2,16,20)(H,17,18,19)
InChIKeyGBYQTXKZSDAIKL-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.85
Rot. Bonds5

About 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine

4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine (PubChem CID 72902145) has the molecular formula C14H14FN5S and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine
PubChem CID72902145
Molecular FormulaC14H14FN5S
Molecular Weight303.37 g/mol
Exact Mass303.10
IUPAC Name4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine
SMILESNc1nc(CCCNc2ncnc3cc(F)ccc23)cs1
InChIInChI=1S/C14H14FN5S/c15-9-3-4-11-12(6-9)18-8-19-13(11)17-5-1-2-10-7-21-14(16)20-10/h3-4,6-8H,1-2,5H2,(H2,16,20)(H,17,18,19)
InChIKeyGBYQTXKZSDAIKL-UHFFFAOYSA-N
XLogP2.85
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 39746305
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-methyl-2-(quinazolin-4-ylamino)butanamide
CID 119060671
N-[2-[2-(3-fluorophenoxy)-1,3-thiazol-4-yl]ethyl]quinazolin-4-amine
CID 67890761
4-[(2,4-difluorophenoxy)methyl]-1,3-thiazol-2-amine
CID 43137897
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
3-[5-[(7-fluoroquinazolin-4-yl)amino]pentyl]-5,5-dimethylimidazolidine-2,4-dione
CID 167200231
3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
CID 72849237
4-(2-fluoroethyl)-1,3-thiazol-2-amine
CID 83854193
4-(3-phenylpropylamino)quinazolin-7-ol
CID 137026727
6-fluoro-N-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]quinazolin-4-amine
CID 133305631
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-chloro-2-fluorobenzamide
CID 91777823

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine (CID 72902145) is 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine is Nc1nc(CCCNc2ncnc3cc(F)ccc23)cs1.
What is the InChIKey of 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
The InChIKey is GBYQTXKZSDAIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5S/c15-9-3-4-11-12(6-9)18-8-19-13(11)17-5-1-2-10-7-21-14(16)20-10/h3-4,6-8H,1-2,5H2,(H2,16,20)(H,17,18,19).
What are the key properties of 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine?
4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine has a molecular weight of 303.37 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(7-fluoroquinazolin-4-yl)amino]propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 72902145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).