N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C16H22FN3S — CID 114364551

IUPACN-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(-c2ccncc2F)sc1CNC(C)(C)C
InChIInChI=1S/C16H22FN3S/c1-5-6-13-14(10-19-16(2,3)4)21-15(20-13)11-7-8-18-9-12(11)17/h7-9,19H,5-6,10H2,1-4H3
InChIKeyVWRRDTPRDKRFOD-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.18
Rot. Bonds5

About N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 114364551) has the molecular formula C16H22FN3S and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID114364551
Molecular FormulaC16H22FN3S
Molecular Weight307.44 g/mol
Exact Mass307.15
IUPAC NameN-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCCc1nc(-c2ccncc2F)sc1CNC(C)(C)C
InChIInChI=1S/C16H22FN3S/c1-5-6-13-14(10-19-16(2,3)4)21-15(20-13)11-7-8-18-9-12(11)17/h7-9,19H,5-6,10H2,1-4H3
InChIKeyVWRRDTPRDKRFOD-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 114364551) is N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCCc1nc(-c2ccncc2F)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VWRRDTPRDKRFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3S/c1-5-6-13-14(10-19-16(2,3)4)21-15(20-13)11-7-8-18-9-12(11)17/h7-9,19H,5-6,10H2,1-4H3.
What are the key properties of N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 307.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluoro-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114364551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).