N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine

C17H18FN5S2 — CID 146430590

IUPACN-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
SMILESCc1nc(SNc2cscn2)ccc1NCc1c(F)cccc1CN
InChIInChI=1S/C17H18FN5S2/c1-11-15(20-8-13-12(7-19)3-2-4-14(13)18)5-6-17(22-11)25-23-16-9-24-10-21-16/h2-6,9-10,20,23H,7-8,19H2,1H3
InChIKeyVIEVOQMZISWGOO-UHFFFAOYSA-N
MW375.50 g/mol
LogP4.18
Rot. Bonds7

About N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine

N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine (PubChem CID 146430590) has the molecular formula C17H18FN5S2 and a molecular weight of 375.50 g/mol. Its IUPAC name is N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
PubChem CID146430590
Molecular FormulaC17H18FN5S2
Molecular Weight375.50 g/mol
Exact Mass375.10
IUPAC NameN-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine
SMILESCc1nc(SNc2cscn2)ccc1NCc1c(F)cccc1CN
InChIInChI=1S/C17H18FN5S2/c1-11-15(20-8-13-12(7-19)3-2-4-14(13)18)5-6-17(22-11)25-23-16-9-24-10-21-16/h2-6,9-10,20,23H,7-8,19H2,1H3
InChIKeyVIEVOQMZISWGOO-UHFFFAOYSA-N
XLogP4.18
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The IUPAC name of N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine (CID 146430590) is N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The canonical SMILES for N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine is Cc1nc(SNc2cscn2)ccc1NCc1c(F)cccc1CN.
What is the InChIKey of N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
The InChIKey is VIEVOQMZISWGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5S2/c1-11-15(20-8-13-12(7-19)3-2-4-14(13)18)5-6-17(22-11)25-23-16-9-24-10-21-16/h2-6,9-10,20,23H,7-8,19H2,1H3.
What are the key properties of N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine?
N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine has a molecular weight of 375.50 g/mol, XLogP of 4.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(aminomethyl)-6-fluorophenyl]methylamino]-6-methyl-2-pyridinyl]sulfanyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 146430590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).