5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine

C10H18FN3S — CID 115732929

IUPAC5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CNCCCF
InChIInChI=1S/C10H18FN3S/c1-8-9(7-12-6-4-5-11)15-10(13-8)14(2)3/h12H,4-7H2,1-3H3
InChIKeyKDZMVJXNPPCGFS-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.97
Rot. Bonds6

About 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine

5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine (PubChem CID 115732929) has the molecular formula C10H18FN3S and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
PubChem CID115732929
Molecular FormulaC10H18FN3S
Molecular Weight231.34 g/mol
Exact Mass231.12
IUPAC Name5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CNCCCF
InChIInChI=1S/C10H18FN3S/c1-8-9(7-12-6-4-5-11)15-10(13-8)14(2)3/h12H,4-7H2,1-3H3
InChIKeyKDZMVJXNPPCGFS-UHFFFAOYSA-N
XLogP1.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine
CID 115632590
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
CID 111114578
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 111421913
3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
CID 111629696
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N,N,4-trimethyl-5-[[(2-methylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 115614563
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 115600536
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pentan-1-amine
CID 64539296

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine (CID 115732929) is 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)C)sc1CNCCCF.
What is the InChIKey of 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
The InChIKey is KDZMVJXNPPCGFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3S/c1-8-9(7-12-6-4-5-11)15-10(13-8)14(2)3/h12H,4-7H2,1-3H3.
What are the key properties of 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine?
5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115732929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).