4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C16H20FN3S — CID 63917766

IUPAC4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)c2ccccc2F)nc1C1CC1
InChIInChI=1S/C16H20FN3S/c1-3-18-10-14-15(11-8-9-11)19-16(21-14)20(2)13-7-5-4-6-12(13)17/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyWWLYFPNZHKXYAB-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.04
Rot. Bonds6

About 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 63917766) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
PubChem CID63917766
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)c2ccccc2F)nc1C1CC1
InChIInChI=1S/C16H20FN3S/c1-3-18-10-14-15(11-8-9-11)19-16(21-14)20(2)13-7-5-4-6-12(13)17/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyWWLYFPNZHKXYAB-UHFFFAOYSA-N
XLogP4.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-4-cyclopropyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 63917574
4-cyclopropyl-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917550
N-butyl-4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63916947
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-pentan-2-yl-1,3-thiazol-2-amine
CID 63918125
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazol-2-amine
CID 63918356
4-ethyl-N-(2-fluorophenyl)-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 55117566
N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 62768210
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
N-butan-2-yl-4-cyclopropyl-N-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-amine
CID 63917923
4-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 63917935
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazol-2-amine
CID 63917628
5-(aminomethyl)-4-ethyl-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 55117520

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 63917766) is 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)c2ccccc2F)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is WWLYFPNZHKXYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-3-18-10-14-15(11-8-9-11)19-16(21-14)20(2)13-7-5-4-6-12(13)17/h4-7,11,18H,3,8-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?
4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 305.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63917766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).