N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

C16H22FN3S — CID 62767216

IUPACN-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)c2cccc(F)c2)sc1CNCC(C)C
InChIInChI=1S/C16H22FN3S/c1-11(2)9-18-10-15-12(3)19-16(21-15)20(4)14-7-5-6-13(17)8-14/h5-8,11,18H,9-10H2,1-4H3
InChIKeyXAMQQQURAVHABV-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.10
Rot. Bonds6

About N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine

N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62767216) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62767216
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)c2cccc(F)c2)sc1CNCC(C)C
InChIInChI=1S/C16H22FN3S/c1-11(2)9-18-10-15-12(3)19-16(21-15)20(4)14-7-5-6-13(17)8-14/h5-8,11,18H,9-10H2,1-4H3
InChIKeyXAMQQQURAVHABV-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
N-(3-fluorophenyl)-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62753085
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
N-(3-fluorophenyl)-N-methyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62292926
N-[[2-(2,6-difluorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404611
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 107379672
N,4-dimethyl-N-(1-methylpiperidin-4-yl)-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764465
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62764340
2-(3-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765130
N-(3-fluorophenyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971234
N-(3-fluorophenyl)-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62294691
5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769288

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine (CID 62767216) is N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)c2cccc(F)c2)sc1CNCC(C)C.
What is the InChIKey of N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XAMQQQURAVHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-11(2)9-18-10-15-12(3)19-16(21-15)20(4)14-7-5-6-13(17)8-14/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine?
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 307.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62767216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).