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

C16H22FN3S — CID 62764340

IUPACN-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2cccc(F)c2)sc1CNC(C)C
InChIInChI=1S/C16H22FN3S/c1-11(2)18-9-15-12(3)19-16(21-15)20(4)10-13-6-5-7-14(17)8-13/h5-8,11,18H,9-10H2,1-4H3
InChIKeyRYCWUPBSRJLUDT-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.73
Rot. Bonds6

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

N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62764340) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62764340
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2cccc(F)c2)sc1CNC(C)C
InChIInChI=1S/C16H22FN3S/c1-11(2)18-9-15-12(3)19-16(21-15)20(4)10-13-6-5-7-14(17)8-13/h5-8,11,18H,9-10H2,1-4H3
InChIKeyRYCWUPBSRJLUDT-UHFFFAOYSA-N
XLogP3.73
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 ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-fluorophenyl)methyl-methylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80570354
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
methyl 2-[(3-fluorophenyl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 115423413
4-[1-(ethylamino)ethyl]-N-[(3-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 64542716
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-2-amine
CID 63208807
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 64540988
N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 81068229
[2-[(3-bromophenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]methanol
CID 62780698
N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768335
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,4-diamine
CID 64976718
[2-[(3-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392645

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62764340) is N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2cccc(F)c2)sc1CNC(C)C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is RYCWUPBSRJLUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-11(2)18-9-15-12(3)19-16(21-15)20(4)10-13-6-5-7-14(17)8-13/h5-8,11,18H,9-10H2,1-4H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 307.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62764340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).