N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine

C14H22FN3S — CID 126534950

IUPACN-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1CC(F)=CN(C)C
InChIInChI=1S/C14H22FN3S/c1-10-13(8-11(15)9-18(2)3)19-14(16-10)17-12-6-4-5-7-12/h9,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyBAKVZIULPKUZFQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.72
Rot. Bonds5

About N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine

N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 126534950) has the molecular formula C14H22FN3S and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID126534950
Molecular FormulaC14H22FN3S
Molecular Weight283.42 g/mol
Exact Mass283.15
IUPAC NameN-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(NC2CCCC2)sc1CC(F)=CN(C)C
InChIInChI=1S/C14H22FN3S/c1-10-13(8-11(15)9-18(2)3)19-14(16-10)17-12-6-4-5-7-12/h9,12H,4-8H2,1-3H3,(H,16,17)
InChIKeyBAKVZIULPKUZFQ-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine (CID 126534950) is N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(NC2CCCC2)sc1CC(F)=CN(C)C.
What is the InChIKey of N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is BAKVZIULPKUZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3S/c1-10-13(8-11(15)9-18(2)3)19-14(16-10)17-12-6-4-5-7-12/h9,12H,4-8H2,1-3H3,(H,16,17).
What are the key properties of N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine?
N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[3-(dimethylamino)-2-fluoroprop-2-enyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 126534950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).